(2S)-4-(4-methoxyphenyl)carbonylpiperazin-1-ium-2-carboxamide

Systemtic Name: (2S)-4-(4-methoxyphenyl)carbonylpiperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-(4-methoxybenzoyl)piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-[(4-methoxyphenyl)-oxomethyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-(4-methoxybenzoyl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-4-p-anisoylpiperazin-1-ium-2-carboxamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH2+]C(C2)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH2+][C@@H](C2)C(=O)N

InChI

InChI=1S/C13H17N3O3/c1-19-10-4-2-9(3-5-10)13(18)16-7-6-15-11(8-16)12(14)17/h2-5,11,15H,6-8H2,1H3,(H2,14,17)/p+1/t11-/m0/s1