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

Systemtic Name: 4-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

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