(2R)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](C)(C#N)N2CC[NH2+]CC2

InChI

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