[(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] benzoate chloride

Systemtic Name: [(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] benzoate chloride Openeye Name: [(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] benzoate chloride CAS Name: benzoic acid [(Z)-(1-methyl-2-phenyl-3-indol-1-iumylidene)amino] ester chloride IUPAC Name: [(Z)-(1-methyl-2-phenylindol-1-ium-3-ylidene)amino] benzoate chloride Traditional Name: benzoic acid [(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] ester chloride Formula: C22H17ClN2O2 MolecularWeight: 376.83558

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=NOC(=O)C2=CC=CC=C2)C3=CC=CC=C31)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[N+]1=C(/C(=N\OC(=O)C2=CC=CC=C2)/C3=CC=CC=C31)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H17N2O2.ClH/c1-24-19-15-9-8-14-18(19)20(21(24)16-10-4-2-5-11-16)23-26-22(25)17-12-6-3-7-13-17;/h2-15H,1H3;1H/q+1;/p-1/b23-20-;