[4-(aminomethyl)-4-ethyl-cyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]-(4-dimethylaminophenyl)azanium sulfate

Systemtic Name: [4-(aminomethyl)-4-ethyl-cyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]-(4-dimethylaminophenyl)azanium sulfate Openeye Name: [4-(aminomethyl)-4-ethyl-cyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]-(4-dimethylaminophenyl)ammonium sulfate CAS Name: [4-(aminomethyl)-4-ethyl-1-cyclohexa-2,5-dienylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-(4-dimethylaminophenyl)ammonium sulfate IUPAC Name: [4-(aminomethyl)-4-ethylcyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-(4-dimethylaminophenyl)azanium sulfate Traditional Name: [4-(aminomethyl)-4-ethyl-cyclohexa-2,5-dien-1-ylidene]-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]-(4-dimethylaminophenyl)ammonium sulfate Formula: C56H78N8O8S MolecularWeight: 1023.33232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC(=[N+](C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(CCO)CCO)C)C=C1)CN.CCC1(C=CC(=[N+](C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(CCO)CCO)C)C=C1)CN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC1(C=CC(=[N+](C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(CCO)CCO)C)C=C1)CN.CCC1(C=CC(=[N+](C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(CCO)CCO)C)C=C1)CN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C28H39N4O2.H2O4S/c2*1-5-28(21-29)14-12-25(13-15-28)32(24-8-6-23(7-9-24)30(3)4)27-11-10-26(20-22(27)2)31(16-18-33)17-19-34;1-5(2,3)4/h2*6-15,20,33-34H,5,16-19,21,29H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2