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

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(o-tolyl)acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(2-methylphenyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)acetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(o-tolyl)acetonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=CC=CC=C2C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=CC=CC=C2C

InChI

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