diethyl-[[4-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]methyl]benzyl]ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)OC)OCCO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)OC)OCCO3

InChI

InChI=1S/C22H28N2O4/c1-4-24(5-2)15-17-8-6-16(7-9-17)14-23-22(25)18-12-19(26-3)21-20(13-18)27-10-11-28-21/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,23,25)/p+1