(2R)-2-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(2-methoxy-5-methylphenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(2-methoxy-5-methylphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O/c1-12-4-5-14(19-3)13(10-12)15(2,11-16)18-8-6-17-7-9-18/h4-5,10,17H,6-9H2,1-3H3/p+1/t15-/m0/s1