(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C19H21ClN2O3/c1-21-19(23)14-5-3-13(4-6-14)9-22(2)10-15-7-17(20)8-16-11-24-12-25-18(15)16/h3-8H,9-12H2,1-2H3,(H,21,23)/p+1