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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C17H21BrN3O3+ MolecularWeight: 395.27094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC(=O)N

InChI

InChI=1S/C17H20BrN3O3/c1-2-23-15-7-13(6-14(18)17(15)24-11-16(19)22)10-21-9-12-4-3-5-20-8-12/h3-8,21H,2,9-11H2,1H3,(H2,19,22)/p+1