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

Systemtic Name: 5-chloranyl-7-[(S)-(4-methoxyphenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-(4-methoxyphenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-(4-methoxyphenyl)-(4-methyl-1-piperazin-1-iumyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-(4-methoxyphenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(S)-(4-methoxyphenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2/c1-25-10-12-26(13-11-25)21(15-5-7-16(28-2)8-6-15)18-14-19(23)17-4-3-9-24-20(17)22(18)27/h3-9,14,21,27H,10-13H2,1-2H3/t21-/m0/s1