(5-bromanylthiophen-2-yl)methyl-methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[2-(3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[2-(3-nitroanilino)-2-oxoethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-(3-nitroanilino)ethyl]-methyl-ammonium Formula: C14H15BrN3O3S+ MolecularWeight: 385.2562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN3O3S/c1-17(8-12-5-6-13(15)22-12)9-14(19)16-10-3-2-4-11(7-10)18(20)21/h2-7H,8-9H2,1H3,(H,16,19)/p+1