(2-bromanyl-5-methoxy-phenyl)-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]methanone Formula: C21H20BrClN3O2+ MolecularWeight: 461.7594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H19BrClN3O2/c1-28-15-3-5-18(22)17(13-15)21(27)26-10-8-25(9-11-26)20-6-7-24-19-12-14(23)2-4-16(19)20/h2-7,12-13H,8-11H2,1H3/p+1