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

Systemtic Name: [(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] benzoate perchlorate Openeye Name: [(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] benzoate perchlorate CAS Name: benzoic acid [(Z)-(1-methyl-2-phenyl-3-indol-1-iumylidene)amino] ester perchlorate IUPAC Name: [(Z)-(1-methyl-2-phenylindol-1-ium-3-ylidene)amino] benzoate perchlorate Traditional Name: benzoic acid [(Z)-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)amino] ester perchlorate Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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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.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C22H17N2O2.ClHO4/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;2-1(3,4)5/h2-15H,1H3;(H,2,3,4,5)/q+1;/p-1/b23-20-;