(2-chloranyl-4-methyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-chloranyl-4-methyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-chloro-4-methyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-chloro-4-methylphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-chloro-4-methyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H19ClN3O+ MolecularWeight: 316.80526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O/c1-13-5-6-14(15(18)12-13)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3/p+1