3-(3-chlorophenyl)imino-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(3-chlorophenyl)imino-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-chlorophenyl)imino-indolin-2-one CAS Name: 3-(3-chlorophenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-chlorophenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-chlorophenyl)imino-oxindole Formula: C27H27ClN3O+ MolecularWeight: 444.97578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=NC5=CC(=CC=C5)Cl)C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=NC5=CC(=CC=C5)Cl)C3=O

InChI

InChI=1S/C27H26ClN3O/c28-22-9-6-10-23(18-22)29-26-24-11-4-5-12-25(24)31(27(26)32)19-30-15-13-21(14-16-30)17-20-7-2-1-3-8-20/h1-12,18,21H,13-17,19H2/p+1