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

Systemtic Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CN2C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CN2C3=CC=CC=C3C#N

InChI

InChI=1S/C17H20N4/c1-19-9-11-20(12-10-19)14-16-6-4-8-21(16)17-7-3-2-5-15(17)13-18/h2-8H,9-12,14H2,1H3/p+1