dimethyl-[(2R)-3-methyl-1-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[(5-nitrobenzothiophene-2-carbonyl)amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[(5-nitro-1-benzothiophene-2-carbonyl)amino]butan-2-yl]azanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[(5-nitrobenzothiophene-2-carbonyl)amino]methyl]propyl]ammonium Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C16H21N3O3S/c1-10(2)13(18(3)4)9-17-16(20)15-8-11-7-12(19(21)22)5-6-14(11)23-15/h5-8,10,13H,9H2,1-4H3,(H,17,20)/p+1/t13-/m0/s1