[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-(2-thenyl)ammonium Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC=CS2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC=CS2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-11-7-14(19(21)22)15(23-3)8-13(11)17-16(20)10-18(2)9-12-5-4-6-24-12/h4-8H,9-10H2,1-3H3,(H,17,20)/p+1