[(2R)-1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbutan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)[NH+](C)C

InChI

InChI=1S/C23H31N3O3S/c1-17(2)22(25(3)4)15-24-23(27)19-10-7-11-21(14-19)30(28,29)26-13-12-18-8-5-6-9-20(18)16-26/h5-11,14,17,22H,12-13,15-16H2,1-4H3,(H,24,27)/p+1/t22-/m0/s1