(3-phenoxyphenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium

Systemtic Name: (3-phenoxyphenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: (3-phenoxyphenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-[(3-phenoxyphenyl)methyl]ammonium IUPAC Name: (3-phenoxyphenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: (3-phenoxybenzyl)-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C25H29N2O5+ MolecularWeight: 437.50816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5/c1-29-22-15-19(16-23(30-2)24(22)31-3)25(28)27-13-12-26-17-18-8-7-11-21(14-18)32-20-9-5-4-6-10-20/h4-11,14-16,26H,12-13,17H2,1-3H3,(H,27,28)/p+1