(2R)-2-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(2,5-dimethylphenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@](C)(C#N)N2CC[NH2+]CC2

InChI

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