(2S)-2-(4-methylphenyl)-2-piperazin-4-ium-1-yl-butanenitrile

Systemtic Name: (2S)-2-(4-methylphenyl)-2-piperazin-4-ium-1-yl-butanenitrile Openeye Name: (2S)-2-piperazin-4-ium-1-yl-2-(p-tolyl)butanenitrile CAS Name: (2S)-2-(4-methylphenyl)-2-(1-piperazin-4-iumyl)butanenitrile IUPAC Name: (2S)-2-(4-methylphenyl)-2-piperazin-4-ium-1-ylbutanenitrile Traditional Name: (2S)-2-piperazin-4-ium-1-yl-2-(p-tolyl)butyronitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3/c1-3-15(12-16,18-10-8-17-9-11-18)14-6-4-13(2)5-7-14/h4-7,17H,3,8-11H2,1-2H3/p+1/t15-/m1/s1