1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22(17-23-11-10-20-8-4-5-9-21(20)16-23)24-12-14-25(15-13-24)29(27,28)18-19-6-2-1-3-7-19/h1-9H,10-18H2/p+1