ethyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-(2-thenyl)ammonium Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)C(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC[NH+](CC1=CC=CS1)[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21N3O4S/c1-4-19(11-14-6-5-9-25-14)12(2)17(21)18-15-10-13(20(22)23)7-8-16(15)24-3/h5-10,12H,4,11H2,1-3H3,(H,18,21)/p+1/t12-/m1/s1