2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC#N

InChI

InChI=1S/C13H17N3/c1-12-3-2-4-13(11-12)16-9-7-15(6-5-14)8-10-16/h2-4,11H,6-10H2,1H3/p+1