methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-(N-methyl-4-nitro-anilino)ethyl]-methyl-(3-thenyl)ammonium Formula: C15H18N3O3S+ MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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