(2S)-2-(2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolyl)acetonitrile CAS Name: (2S)-2-(2-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolyl)acetonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3/c1-12-5-3-4-6-13(12)14(11-15)17-9-7-16(2)8-10-17/h3-6,14H,7-10H2,1-2H3/p+1/t14-/m1/s1