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

Systemtic Name: 3-(4-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-(4-chlorophenyl)imino-indolin-2-one CAS Name: 3-(4-chlorophenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-chlorophenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-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=C(C=C5)Cl)C3=O

Isomeric SMILES

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

InChI

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