2-phenyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-inden-1-olate

Systemtic Name: 2-phenyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-inden-1-olate Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-2-phenyl-inden-1-olate CAS Name: 2-phenyl-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]-1-indenolate IUPAC Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-2-phenylinden-1-olate Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-2-phenyl-inden-1-olate Formula: C27H26N2O MolecularWeight: 394.50814

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O/c30-27-24-14-8-7-13-23(24)26(25(27)21-11-5-2-6-12-21)28-22-15-17-29(18-16-22)19-20-9-3-1-4-10-20/h1-14,22,30H,15-19H2