(3,4-dichlorophenyl)-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dichlorophenyl)-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (3,4-dichlorophenyl)-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: (3,4-dichlorophenyl)-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,4-dichlorophenyl)-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (3,4-dichlorophenyl)-[4-(2-methylquinolin-1-ium-4-yl)piperazino]methanone Formula: C21H20Cl2N3O+ MolecularWeight: 401.309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O/c1-14-12-20(16-4-2-3-5-19(16)24-14)25-8-10-26(11-9-25)21(27)15-6-7-17(22)18(23)13-15/h2-7,12-13H,8-11H2,1H3/p+1