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

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C14H15ClN3O3S+ MolecularWeight: 340.8052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3S/c1-17(7-10-4-5-22-9-10)8-14(19)16-12-6-11(15)2-3-13(12)18(20)21/h2-6,9H,7-8H2,1H3,(H,16,19)/p+1