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

Systemtic Name: 2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C22H23N4+ MolecularWeight: 343.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4/c23-17-19-7-4-5-11-22(19)26-12-6-10-21(26)18-24-13-15-25(16-14-24)20-8-2-1-3-9-20/h1-12H,13-16,18H2/p+1