[2-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[(7-chloropiperonyloyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C18H20ClN2O3+ MolecularWeight: 347.816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H19ClN2O3/c1-21(2)10-13-6-4-3-5-12(13)9-20-18(22)14-7-15(19)17-16(8-14)23-11-24-17/h3-8H,9-11H2,1-2H3,(H,20,22)/p+1