1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ium-1-yl-ethanone Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C15H22N2O2/c1-10-14(12(3)18)11(2)16-15(10)13(19)9-17-7-5-4-6-8-17/h16H,4-9H2,1-3H3/p+1