[(5S)-6-methoxy-5-[(5-methyl-4-nitro-thiophen-2-yl)carbonylamino]-6-oxidanylidene-hexyl]azanium chloride

Systemtic Name: [(5S)-6-methoxy-5-[(5-methyl-4-nitro-thiophen-2-yl)carbonylamino]-6-oxidanylidene-hexyl]azanium chloride Openeye Name: [(5S)-6-methoxy-5-[(5-methyl-4-nitro-thiophene-2-carbonyl)amino]-6-oxo-hexyl]ammonium chloride CAS Name: [(5S)-6-methoxy-5-[[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]amino]-6-oxohexyl]ammonium chloride IUPAC Name: [(5S)-6-methoxy-5-[(5-methyl-4-nitrothiophene-2-carbonyl)amino]-6-oxohexyl]azanium chloride Traditional Name: [(5S)-6-keto-6-methoxy-5-[(5-methyl-4-nitro-thiophene-2-carbonyl)amino]hexyl]ammonium chloride Formula: C13H20ClN3O5S MolecularWeight: 365.833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC(CCCC[NH3+])C(=O)OC)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H19N3O5S.ClH/c1-8-10(16(19)20)7-11(22-8)12(17)15-9(13(18)21-2)5-3-4-6-14;/h7,9H,3-6,14H2,1-2H3,(H,15,17);1H/t9-;/m0./s1