1-[3-(4-chlorophenyl)sulfonyl-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-chlorophenyl)sulfonyl-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(4-chlorophenyl)sulfonyl-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-(4-chlorophenyl)sulfonyl-6-methyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-chlorophenyl)sulfonyl-6-methylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-chlorophenyl)sulfonyl-6-methyl-quinolin-1-ium-4-yl]isonipecotamide Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H22ClN3O3S/c1-14-2-7-19-18(12-14)21(26-10-8-15(9-11-26)22(24)27)20(13-25-19)30(28,29)17-5-3-16(23)4-6-17/h2-7,12-13,15H,8-11H2,1H3,(H2,24,27)/p+1