6-ethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 6-ethoxy-4-[(3S)-3-methyl-1-piperidyl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 6-ethoxy-4-[(3S)-3-methylpiperidino]-3-tosyl-quinolin-1-ium Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCC(C4)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC[C@@H](C4)C

InChI

InChI=1S/C24H28N2O3S/c1-4-29-19-9-12-22-21(14-19)24(26-13-5-6-18(3)16-26)23(15-25-22)30(27,28)20-10-7-17(2)8-11-20/h7-12,14-15,18H,4-6,13,16H2,1-3H3/p+1/t18-/m0/s1