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

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydrocarbostyril Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c24-20-9-6-17-14-18(7-8-19(17)21-20)27(25,26)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-5,7-8,14H,6,9-13,15H2,(H,21,24)/p+1