1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c25-21(23-11-10-18-6-4-5-7-19(18)16-23)17-22-12-14-24(15-13-22)28(26,27)20-8-2-1-3-9-20/h1-9H,10-17H2/p+1