(2,6-dimethylquinolin-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2,6-dimethylquinolin-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2,6-dimethyl-3-quinolyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2,6-dimethyl-3-quinolinyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2,6-dimethylquinolin-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2,6-dimethyl-3-quinolyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22N4O/c1-15-6-7-19-17(13-15)14-18(16(2)23-19)21(26)25-11-9-24(10-12-25)20-5-3-4-8-22-20/h3-8,13-14H,9-12H2,1-2H3/p+1