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

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-19(23(27)25-12-11-21-9-5-6-10-22(21)17-25)24-13-15-26(16-14-24)30(28,29)18-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3/p+1/t19-/m1/s1