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

Systemtic Name: 1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3-(4-phenylphenyl)imino-indol-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-phenylphenyl)imino-indolin-2-one CAS Name: 1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-(4-phenylphenyl)imino-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-phenylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-phenylphenyl)imino-oxindole Formula: C33H32N3O+ MolecularWeight: 486.62668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=NC5=CC=C(C=C5)C6=CC=CC=C6)C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=NC5=CC=C(C=C5)C6=CC=CC=C6)C3=O

InChI

InChI=1S/C33H31N3O/c37-33-32(34-29-17-15-28(16-18-29)27-11-5-2-6-12-27)30-13-7-8-14-31(30)36(33)24-35-21-19-26(20-22-35)23-25-9-3-1-4-10-25/h1-18,26H,19-24H2/p+1