(5-bromanyl-2-methoxy-phenyl)methyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methyl-ammonium Formula: C17H23BrN3O4+ MolecularWeight: 413.28622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H22BrN3O4/c1-4-25-16(22)13-8-19-17(23)20-14(13)10-21(2)9-11-7-12(18)5-6-15(11)24-3/h5-7H,4,8-10H2,1-3H3,(H2,19,20,23)/p+1