(2R)-2-(3-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: (2R)-2-(3-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(m-tolyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile CAS Name: (2R)-2-(3-methylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile Traditional Name: (2R)-2-(m-tolyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile Formula: C19H22N3+ MolecularWeight: 292.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C#N)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)[C@H](C#N)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3/c1-16-6-5-7-17(14-16)19(15-20)22-12-10-21(11-13-22)18-8-3-2-4-9-18/h2-9,14,19H,10-13H2,1H3/p+1/t19-/m0/s1