(5-chloranylthiophen-2-yl)methyl-methyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C15H17ClN3O3S+ MolecularWeight: 354.83178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-10-7-11(19(21)22)3-5-13(10)17-15(20)9-18(2)8-12-4-6-14(16)23-12/h3-7H,8-9H2,1-2H3,(H,17,20)/p+1