[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-[(2-chloro-5-nitro-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-[(2-chloro-5-nitrophenyl)methyl]-methylammonium IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(2-chloro-5-nitrophenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C15H16ClN4O4S+ MolecularWeight: 383.82994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C15H15ClN4O4S/c1-19(7-9-6-10(20(23)24)2-3-12(9)16)8-13(21)18-15-11(14(17)22)4-5-25-15/h2-6H,7-8H2,1H3,(H2,17,22)(H,18,21)/p+1