2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C29H29N4+ MolecularWeight: 433.56736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4/c30-22-26-14-7-8-16-28(26)33-17-9-15-27(33)23-31-18-20-32(21-19-31)29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,29H,18-21,23H2/p+1