(3,5-dimethylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3,5-dimethylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3,5-dimethylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3,5-dimethylphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3,5-dimethylphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H22N3O+ MolecularWeight: 296.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C18H21N3O/c1-14-11-15(2)13-16(12-14)18(22)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-13H,7-10H2,1-2H3/p+1