(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: (2R)-2-(4-isopropylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-p-cumenyl-acetonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3/c1-13(2)14-4-6-15(7-5-14)16(12-17)19-10-8-18(3)9-11-19/h4-7,13,16H,8-11H2,1-3H3/p+1/t16-/m0/s1