[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C16H19BrN3O3+ MolecularWeight: 381.24436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC(=O)N

InChI

InChI=1S/C16H18BrN3O3/c1-22-14-6-12(5-13(17)16(14)23-10-15(18)21)9-20-8-11-3-2-4-19-7-11/h2-7,20H,8-10H2,1H3,(H2,18,21)/p+1