[4-[[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(3-chloro-4-ethoxy-5-methoxy-benzoyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(3-chloro-4-ethoxy-5-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(3-chloro-4-ethoxy-5-methoxy-benzoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C22H30ClN2O3+ MolecularWeight: 405.9382

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)Cl)OCC)OC

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)Cl)OCC)OC

InChI

InChI=1S/C22H29ClN2O3/c1-5-25(6-2)15-17-10-8-16(9-11-17)14-24-22(26)18-12-19(23)21(28-7-3)20(13-18)27-4/h8-13H,5-7,14-15H2,1-4H3,(H,24,26)/p+1