[9-(2-carboxyphenyl)-6-(diethylamino)-2-methyl-xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2-methyl-xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2-methyl-xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2-methyl-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2-methylxanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2-methyl-xanthen-3-ylidene]-diethyl-ammonium Formula: C29H33N2O3+ MolecularWeight: 457.58392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=[N+](CC)CC)C=C3O2)C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=[N+](CC)CC)C=C3O2)C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H32N2O3/c1-6-30(7-2)20-14-15-23-26(17-20)34-27-18-25(31(8-3)9-4)19(5)16-24(27)28(23)21-12-10-11-13-22(21)29(32)33/h10-18H,6-9H2,1-5H3/p+1