2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)azaniumyl]ethanoate

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)azaniumyl]acetate Traditional Name: 2-[cyclohexyl(piperonyl)ammonio]acetate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)[O-]

InChI

InChI=1S/C16H21NO4/c18-16(19)10-17(13-4-2-1-3-5-13)9-12-6-7-14-15(8-12)21-11-20-14/h6-8,13H,1-5,9-11H2,(H,18,19)