1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N3O3S/c25-21(17-22-11-10-18-6-4-5-7-19(18)16-22)23-12-14-24(15-13-23)28(26,27)20-8-2-1-3-9-20/h1-3,8-11,16H,4-7,12-15,17H2/q+1