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

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-(3-thenyl)ammonium Formula: C15H18N3O3S+ MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CSC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C15H17N3O3S/c1-11-3-4-13(18(20)21)7-14(11)16-15(19)9-17(2)8-12-5-6-22-10-12/h3-7,10H,8-9H2,1-2H3,(H,16,19)/p+1