[(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [(2S)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [(1S)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(1S)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-11-7-8-25-16(11)10-19(3)12(2)17(21)18-14-6-5-13(24-4)9-15(14)20(22)23/h5-9,12H,10H2,1-4H3,(H,18,21)/p+1/t12-/m0/s1