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

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-18(22(26)24-12-11-19-7-5-6-8-20(19)17-24)23-13-15-25(16-14-23)29(27,28)21-9-3-2-4-10-21/h2-10,18H,11-17H2,1H3/p+1/t18-/m1/s1