[4-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(7-chloropiperonyloyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C20H24ClN2O3+ MolecularWeight: 375.86916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C20H23ClN2O3/c1-3-23(4-2)12-15-7-5-14(6-8-15)11-22-20(24)16-9-17(21)19-18(10-16)25-13-26-19/h5-10H,3-4,11-13H2,1-2H3,(H,22,24)/p+1