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

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

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

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