(4-methoxyphenyl)methyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-p-anisyl-ammonium Formula: C16H17N2O5+ MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-21-13-4-2-11(3-5-13)8-17-9-12-6-15-16(23-10-22-15)7-14(12)18(19)20/h2-7,17H,8-10H2,1H3/p+1