[(1Z)-1-[(4E)-4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methyl-phenyl]methylidene]-3-methyl-cyclohexa-2,5-dien-1-ylidene]ethyl]-(2-hydroxyethyl)azanium ethanoate

Systemtic Name: [(1Z)-1-[(4E)-4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methyl-phenyl]methylidene]-3-methyl-cyclohexa-2,5-dien-1-ylidene]ethyl]-(2-hydroxyethyl)azanium ethanoate Openeye Name: [(1Z)-1-[(4E)-4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methyl-phenyl]methylene]-3-methyl-cyclohexa-2,5-dien-1-ylidene]ethyl]-(2-hydroxyethyl)ammonium acetate CAS Name: [(1Z)-1-[(4E)-4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylidene]-3-methyl-1-cyclohexa-2,5-dienylidene]ethyl]-(2-hydroxyethyl)ammonium acetate IUPAC Name: [(1Z)-1-[(4E)-4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene]ethyl]-(2-hydroxyethyl)azanium acetate Traditional Name: [(1Z)-1-[(4E)-4-[[4-(diethylamino)phenyl]-[4-[ethyl(2-hydroxyethyl)amino]-2-methyl-phenyl]methylene]-3-methyl-cyclohexa-2,5-dien-1-ylidene]ethyl]-(2-hydroxyethyl)ammonium acetate Formula: C35H49N3O4 MolecularWeight: 575.78126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=C(C)[NH2+]CCO)C=C2C)C3=C(C=C(C=C3)N(CC)CCO)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C(=C\2/C=C/C(=C(\C)/[NH2+]CCO)/C=C2C)/C3=C(C=C(C=C3)N(CC)CCO)C.CC(=O)[O-]

InChI

InChI=1S/C33H45N3O2.C2H4O2/c1-7-35(8-2)29-13-10-27(11-14-29)33(31-16-12-28(22-24(31)4)26(6)34-18-20-37)32-17-15-30(23-25(32)5)36(9-3)19-21-38;1-2(3)4/h10-17,22-23,34,37-38H,7-9,18-21H2,1-6H3;1H3,(H,3,4)/b28-26-,33-31+;