1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]azanium Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-piperonyl-ammonium Formula: C17H19N2O6+ MolecularWeight: 347.34256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O6/c1-22-15-6-12(13(19(20)21)7-16(15)23-2)9-18-8-11-3-4-14-17(5-11)25-10-24-14/h3-7,18H,8-10H2,1-2H3/p+1