7-[(R)-(4-bromophenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]-5-chloranyl-quinolin-8-olate

Systemtic Name: 7-[(R)-(4-bromophenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]-5-chloranyl-quinolin-8-olate Openeye Name: 7-[(R)-(4-bromophenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]-5-chloro-quinolin-8-olate CAS Name: 7-[(R)-(4-bromophenyl)-(4-methyl-1-piperazin-1-iumyl)methyl]-5-chloro-8-quinolinolate IUPAC Name: 7-[(R)-(4-bromophenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]-5-chloroquinolin-8-olate Traditional Name: 7-[(R)-(4-bromophenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]-5-chloro-quinolin-8-olate Formula: C21H21BrClN3O MolecularWeight: 446.76794

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(C2=CC=C(C=C2)Br)C3=CC(=C4C=CC=NC4=C3[O-])Cl

Isomeric SMILES

CN1CC[NH+](CC1)[C@H](C2=CC=C(C=C2)Br)C3=CC(=C4C=CC=NC4=C3[O-])Cl

InChI

InChI=1S/C21H21BrClN3O/c1-25-9-11-26(12-10-25)20(14-4-6-15(22)7-5-14)17-13-18(23)16-3-2-8-24-19(16)21(17)27/h2-8,13,20,27H,9-12H2,1H3/t20-/m1/s1