3-methoxycarbonyl-1-(phenylmethyl)-1,2-diazinan-1-ium-1-carboxylate

Systemtic Name: 3-methoxycarbonyl-1-(phenylmethyl)-1,2-diazinan-1-ium-1-carboxylate Openeye Name: 1-benzyl-3-methoxycarbonyl-hexahydropyridazin-1-ium-1-carboxylate CAS Name: 3-methoxycarbonyl-1-(phenylmethyl)-1-diazinan-1-iumcarboxylate IUPAC Name: 1-benzyl-3-methoxycarbonyldiazinan-1-ium-1-carboxylate Traditional Name: 1-benzyl-3-carbomethoxy-hexahydropyridazin-1-ium-1-carboxylate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[N+](N1)(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

COC(=O)C1CCC[N+](N1)(CC2=CC=CC=C2)C(=O)[O-]

InChI

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