3-(4-ethylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 3-(4-ethylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 3-(4-ethylphenyl)sulfonyl-4-[(3R)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(4-ethylphenyl)sulfonyl-4-[(3R)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(4-ethylphenyl)sulfonyl-4-[(3R)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-(4-ethylphenyl)sulfonyl-4-[(3R)-3-methylpiperidino]quinolin-1-ium Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCCC(C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCC[C@H](C4)C

InChI

InChI=1S/C23H26N2O2S/c1-3-18-10-12-19(13-11-18)28(26,27)22-15-24-21-9-5-4-8-20(21)23(22)25-14-6-7-17(2)16-25/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3/p+1/t17-/m1/s1