methyl (2S)-1-(4-methoxyphenyl)carbonylpiperazin-4-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-(4-methoxyphenyl)carbonylpiperazin-4-ium-2-carboxylate Openeye Name: methyl (2S)-1-(4-methoxybenzoyl)piperazin-4-ium-2-carboxylate CAS Name: (2S)-1-[(4-methoxyphenyl)-oxomethyl]-2-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(4-methoxybenzoyl)piperazin-4-ium-2-carboxylate Traditional Name: (2S)-1-p-anisoylpiperazin-4-ium-2-carboxylic acid methyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH2+]CC2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH2+]C[C@H]2C(=O)OC

InChI

InChI=1S/C14H18N2O4/c1-19-11-5-3-10(4-6-11)13(17)16-8-7-15-9-12(16)14(18)20-2/h3-6,12,15H,7-9H2,1-2H3/p+1/t12-/m0/s1