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

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C15H23N4+ MolecularWeight: 259.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4/c1-17(2)14-6-4-13(5-7-14)15(12-16)19-10-8-18(3)9-11-19/h4-7,15H,8-11H2,1-3H3/p+1/t15-/m1/s1