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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[(2-methoxycarbonyl-3-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(2-methoxycarbonyl-3-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(2-carbomethoxy-3-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C17H20BrN2O4S+ MolecularWeight: 428.3207

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H19BrN2O4S/c1-20(9-11-8-12(18)4-5-14(11)23-2)10-15(21)19-13-6-7-25-16(13)17(22)24-3/h4-8H,9-10H2,1-3H3,(H,19,21)/p+1