[5-azanyl-4-ethoxycarbonyl-3-(4-nitrophenyl)thiophen-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-3-(4-nitrophenyl)thiophen-2-yl]methyl-dimethyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-3-(4-nitrophenyl)-2-thienyl]methyl-dimethyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-3-(4-nitrophenyl)-2-thiophenyl]methyl-dimethylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-3-(4-nitrophenyl)thiophen-2-yl]methyl-dimethylazanium Traditional Name: [5-amino-4-carbethoxy-3-(4-nitrophenyl)-2-thienyl]methyl-dimethyl-ammonium Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C[NH+](C)C)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C[NH+](C)C)N

InChI

InChI=1S/C16H19N3O4S/c1-4-23-16(20)14-13(12(9-18(2)3)24-15(14)17)10-5-7-11(8-6-10)19(21)22/h5-8H,4,9,17H2,1-3H3/p+1