1-methyl-5-(phenylcarbonyl)pyrrole-3-carboxylate; piperazin-1-ium

Systemtic Name: 1-methyl-5-(phenylcarbonyl)pyrrole-3-carboxylate; piperazin-1-ium Openeye Name: 5-benzoyl-1-methyl-pyrrole-3-carboxylate; piperazin-1-ium CAS Name: 5-benzoyl-1-methyl-3-pyrrolecarboxylate; piperazin-1-ium IUPAC Name: 5-benzoyl-1-methylpyrrole-3-carboxylate; piperazin-1-ium Traditional Name: 5-benzoyl-1-methyl-pyrrole-3-carboxylate; piperazin-1-ium Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=CC=C2)C(=O)[O-].C1CNCC[NH2+]1

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=CC=C2)C(=O)[O-].C1CNCC[NH2+]1

InChI

InChI=1S/C13H11NO3.C4H10N2/c1-14-8-10(13(16)17)7-11(14)12(15)9-5-3-2-4-6-9;1-2-6-4-3-5-1/h2-8H,1H3,(H,16,17);5-6H,1-4H2