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

Systemtic Name: [4-(aminomethyl)-9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [4-(aminomethyl)-9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [4-(aminomethyl)-9-(2-carboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [4-(aminomethyl)-9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [4-(aminomethyl)-9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H34N3O3+ MolecularWeight: 472.59856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-5-31(6-2)19-13-14-22-26(17-19)35-28-23(15-16-25(24(28)18-30)32(7-3)8-4)27(22)20-11-9-10-12-21(20)29(33)34/h9-17H,5-8,18,30H2,1-4H3/p+1