2-[4-[(1-methylpiperazin-1-ium-1-yl)-phenyl-methyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(1-methylpiperazin-1-ium-1-yl)-phenyl-methyl]phenyl]ethanenitrile Openeye Name: 2-[4-[(1-methylpiperazin-1-ium-1-yl)-phenyl-methyl]phenyl]acetonitrile CAS Name: 2-[4-[(1-methyl-1-piperazin-1-iumyl)-phenylmethyl]phenyl]acetonitrile IUPAC Name: 2-[4-[(1-methylpiperazin-1-ium-1-yl)-phenylmethyl]phenyl]acetonitrile Traditional Name: 2-[4-[(1-methylpiperazin-1-ium-1-yl)-phenyl-methyl]phenyl]acetonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)CC#N

Isomeric SMILES

C[N+]1(CCNCC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H24N3/c1-23(15-13-22-14-16-23)20(18-5-3-2-4-6-18)19-9-7-17(8-10-19)11-12-21/h2-10,20,22H,11,13-16H2,1H3/q+1