[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H19BrN3O3S+ MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C16H18BrN3O3S/c1-20(8-10-7-11(17)3-4-13(10)23-2)9-14(21)19-16-12(15(18)22)5-6-24-16/h3-7H,8-9H2,1-2H3,(H2,18,22)(H,19,21)/p+1