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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[(3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(3-carbethoxy-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C18H22BrN2O4S+ MolecularWeight: 442.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C18H21BrN2O4S/c1-4-25-18(23)14-7-8-26-17(14)20-16(22)11-21(2)10-12-9-13(19)5-6-15(12)24-3/h5-9H,4,10-11H2,1-3H3,(H,20,22)/p+1