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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-methoxy-phenyl]methyl-benzyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-benzylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-methoxy-benzyl]-benzyl-ammonium Formula: C17H20BrN2O3+ MolecularWeight: 380.2563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3/c1-22-15-7-13(10-20-9-12-5-3-2-4-6-12)14(18)8-16(15)23-11-17(19)21/h2-8,20H,9-11H2,1H3,(H2,19,21)/p+1