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

Systemtic Name: 6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-(2-thenyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydrocarbostyril Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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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=CS4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C18H21N3O3S2/c22-18-6-3-14-12-16(4-5-17(14)19-18)26(23,24)21-9-7-20(8-10-21)13-15-2-1-11-25-15/h1-2,4-5,11-12H,3,6-10,13H2,(H,19,22)/p+1