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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3/c1-12-4-3-5-14(13(12)2)17-10-8-16(7-6-15)9-11-17/h3-5H,7-11H2,1-2H3/p+1