6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydrocarbostyril Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H22ClN3O3S/c21-17-3-1-2-15(12-17)14-23-8-10-24(11-9-23)28(26,27)18-5-6-19-16(13-18)4-7-20(25)22-19/h1-3,5-6,12-13H,4,7-11,14H2,(H,22,25)/p+1