methyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-piperonylpiperazin-4-ium-1-carboxylic acid methyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H18N2O4/c1-18-14(17)16-6-4-15(5-7-16)9-11-2-3-12-13(8-11)20-10-19-12/h2-3,8H,4-7,9-10H2,1H3/p+1