(2R)-2-(4-ethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2R)-2-(4-ethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(4-ethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2R)-2-(4-ethylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-ethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2R)-2-(4-ethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H21N3/c1-3-13-4-6-14(7-5-13)15(12-16)18-10-8-17(2)9-11-18/h4-7,15H,3,8-11H2,1-2H3/p+1/t15-/m0/s1