6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium

Systemtic Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium Openeye Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methyl-1-piperidyl)quinolin-1-ium CAS Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methyl-1-piperidinyl)quinolin-1-ium IUPAC Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium Traditional Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidino)quinolin-1-ium Formula: C24H29N2O3S+ MolecularWeight: 425.56366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCC(CC4)C

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCC(CC4)C

InChI

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