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

Systemtic Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium Openeye Name: 6-ethoxy-4-(4-methyl-1-piperidyl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperidinyl)quinolin-1-ium IUPAC Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium Traditional Name: 6-ethoxy-4-(4-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)N4CCC(CC4)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C

InChI

InChI=1S/C24H28N2O3S/c1-4-29-19-7-10-22-21(15-19)24(26-13-11-18(3)12-14-26)23(16-25-22)30(27,28)20-8-5-17(2)6-9-20/h5-10,15-16,18H,4,11-14H2,1-3H3/p+1