(2R)-2-(2-methylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(2-methylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(o-tolyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(2-methylphenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(2-methylphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(o-tolyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1[C@](C)(C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3/c1-12-5-3-4-6-13(12)14(2,11-15)17-9-7-16-8-10-17/h3-6,16H,7-10H2,1-2H3/p+1/t14-/m0/s1