2-[[2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]phenyl]carbonyl-methyl-amino]ethanolate

Systemtic Name: 2-[[2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]phenyl]carbonyl-methyl-amino]ethanolate Openeye Name: 2-[[2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoyl]-methyl-amino]ethanolate CAS Name: 2-[[[2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]phenyl]-oxomethyl]-methylamino]ethanolate IUPAC Name: 2-[[2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoyl]-methylamino]ethanolate Traditional Name: 2-[[2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoyl]-methyl-amino]ethanolate Formula: C31H37N3O3 MolecularWeight: 499.64378

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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)C4=CC=CC=C4C(=O)N(C)CC[O-]

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O3/c1-6-33(7-2)22-14-16-26-28(20-22)37-29-21-23(34(8-3)9-4)15-17-27(29)30(26)24-12-10-11-13-25(24)31(36)32(5)18-19-35/h10-17,20-21H,6-9,18-19H2,1-5H3