2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(3-fluorophenyl)methyl]azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(3-fluorophenyl)methyl]azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(3-fluorophenyl)methyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[(3-fluorophenyl)methyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(3-fluorophenyl)methyl]azanium Traditional Name: (3-fluorobenzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C18H22FN2O3+ MolecularWeight: 333.377283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O3/c1-23-16-7-6-14(11-17(16)24-2)18(22)21-9-8-20-12-13-4-3-5-15(19)10-13/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)/p+1