methyl-[(3-methylthiophen-2-yl)methyl]-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: methyl-[(3-methylthiophen-2-yl)methyl]-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: methyl-[(3-methyl-2-thiophenyl)methyl]-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: methyl-[(3-methylthiophen-2-yl)methyl]-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-11-8-9-23-15(11)10-18(3)12(2)16(20)17-13-6-4-5-7-14(13)19(21)22/h4-9,12H,10H2,1-3H3,(H,17,20)/p+1/t12-/m1/s1