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

Systemtic Name: 5-chloranyl-7-[(R)-(4-methylphenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(R)-(4-methylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(R)-(4-methylphenyl)-(4-methyl-1-piperazin-1-iumyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(R)-(4-methylphenyl)-(4-methylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(R)-(4-methylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]quinolin-8-olate Formula: C22H24ClN3O MolecularWeight: 381.89846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2[O-])Cl)[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC(=C3C=CC=NC3=C2[O-])Cl)[NH+]4CCN(CC4)C

InChI

InChI=1S/C22H24ClN3O/c1-15-5-7-16(8-6-15)21(26-12-10-25(2)11-13-26)18-14-19(23)17-4-3-9-24-20(17)22(18)27/h3-9,14,21,27H,10-13H2,1-2H3/t21-/m1/s1