6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-[(3S)-3-methylpiperidino]quinolin-1-ium Formula: C22H24ClN2O3S+ MolecularWeight: 431.95556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-15-4-3-11-25(14-15)22-19-12-16(23)5-10-20(19)24-13-21(22)29(26,27)18-8-6-17(28-2)7-9-18/h5-10,12-13,15H,3-4,11,14H2,1-2H3/p+1/t15-/m0/s1