(5-bromanyl-2-oxidanyl-phenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: (5-bromo-2-hydroxy-phenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: (5-bromo-2-hydroxyphenyl)methyl-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: (5-bromo-2-hydroxyphenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: (5-bromo-2-hydroxy-benzyl)-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C19H24BrN2O5+ MolecularWeight: 440.30826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C19H23BrN2O5/c1-25-16-9-12(10-17(26-2)18(16)27-3)19(24)22-7-6-21-11-13-8-14(20)4-5-15(13)23/h4-5,8-10,21,23H,6-7,11H2,1-3H3,(H,22,24)/p+1