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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(o-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=C1N2CC[NH+](CC2)CC#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC#N

InChI

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