1,3-benzodioxol-5-ylmethyl-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-4,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: (3-chloro-4,5-dimethoxy-benzyl)-piperonyl-ammonium Formula: C17H19ClNO4+ MolecularWeight: 336.79006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OC

InChI

InChI=1S/C17H18ClNO4/c1-20-16-7-12(5-13(18)17(16)21-2)9-19-8-11-3-4-14-15(6-11)23-10-22-14/h3-7,19H,8-10H2,1-2H3/p+1