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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]azanium Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-homopiperonyl-ammonium Formula: C18H21N2O6+ MolecularWeight: 361.36914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O6/c1-23-16-8-13(14(20(21)22)9-17(16)24-2)10-19-6-5-12-3-4-15-18(7-12)26-11-25-15/h3-4,7-9,19H,5-6,10-11H2,1-2H3/p+1