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

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: (2R)-2-(4-isopropylphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: (2R)-2-p-cumenyl-2-piperazin-4-ium-1-yl-acetonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3/c1-12(2)13-3-5-14(6-4-13)15(11-16)18-9-7-17-8-10-18/h3-6,12,15,17H,7-10H2,1-2H3/p+1/t15-/m0/s1