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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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