2-[4-(aminomethyl)-6-(diethylamino)-3-diethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 2-[4-(aminomethyl)-6-(diethylamino)-3-diethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 2-[4-(aminomethyl)-6-(diethylamino)-3-diethyliminio-xanthen-9-yl]benzoate CAS Name: 2-[4-(aminomethyl)-6-(diethylamino)-3-diethyliminio-9-xanthenyl]benzoate IUPAC Name: 2-[4-(aminomethyl)-6-(diethylamino)-3-diethylazaniumylidenexanthen-9-yl]benzoate Traditional Name: 2-[4-(aminomethyl)-6-(diethylamino)-3-diethyliminio-xanthen-9-yl]benzoate Formula: C29H33N3O3 MolecularWeight: 471.59062

Click to see the large picture

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