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

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)methyl-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: (5-bromo-2-hydroxy-phenyl)methyl-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]ammonium CAS Name: (5-bromo-2-hydroxyphenyl)methyl-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: (5-bromo-2-hydroxyphenyl)methyl-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]azanium Traditional Name: (5-bromo-2-hydroxy-benzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=C(C=CC(=C2)Br)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=C(C=CC(=C2)Br)O)OC

InChI

InChI=1S/C18H21BrN2O4/c1-24-16-6-3-12(10-17(16)25-2)18(23)21-8-7-20-11-13-9-14(19)4-5-15(13)22/h3-6,9-10,20,22H,7-8,11H2,1-2H3,(H,21,23)/p+1