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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C20H26BrN2O5+ MolecularWeight: 454.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O5/c1-25-16-6-5-15(21)9-14(16)12-22-7-8-23-20(24)13-10-17(26-2)19(28-4)18(11-13)27-3/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,23,24)/p+1