1,3-benzodioxol-5-ylmethyl-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-piperonyl-ammonium Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO4/c1-20-17(19)14-5-2-12(3-6-14)9-18-10-13-4-7-15-16(8-13)22-11-21-15/h2-8,18H,9-11H2,1H3/p+1