4-[[4-[4-(diphenylmethyl)piperazin-1-yl]carbonylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(diphenylmethyl)piperazin-1-yl]carbonylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-benzhydrylpiperazine-1-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-benzhydrylpiperazine-1-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-benzhydrylpiperazine-1-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C31H35N4O+ MolecularWeight: 479.6358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H34N4O/c32-23-25-11-13-26(14-12-25)24-33-17-15-29(16-18-33)31(36)35-21-19-34(20-22-35)30(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-14,29-30H,15-22,24H2/p+1