1-ethyl-1-methyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium

Systemtic Name: 1-ethyl-1-methyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium Openeye Name: 1-ethyl-1-methyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium CAS Name: 1-ethyl-1-methyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium IUPAC Name: 1-ethyl-1-methyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium Traditional Name: 1-ethyl-1-methyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium Formula: C21H29N2+ MolecularWeight: 309.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C)C

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H29N2/c1-4-23(3)15-13-22(14-16-23)21(19-10-6-5-7-11-19)20-12-8-9-18(2)17-20/h5-12,17,21H,4,13-16H2,1-3H3/q+1