(3-chloranyl-4-methyl-phenyl)-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (3-chloro-4-methyl-phenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: (3-chloro-4-methylphenyl)-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-methylphenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (3-chloro-4-methyl-phenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]methanone Formula: C21H20Cl2N3O+ MolecularWeight: 401.309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)Cl

InChI

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