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

Systemtic Name: 2-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C23H25N4+ MolecularWeight: 357.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4/c24-17-21-9-4-5-11-23(21)27-12-6-10-22(27)19-26-15-13-25(14-16-26)18-20-7-2-1-3-8-20/h1-12H,13-16,18-19H2/p+1