1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N3O3S2/c23-18(22-9-3-6-16-5-1-2-7-17(16)22)15-20-10-12-21(13-11-20)27(24,25)19-8-4-14-26-19/h1-2,4-5,7-8,14H,3,6,9-13,15H2/p+1