1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C16H24N2O2/c1-10-6-5-7-18(8-10)9-14(20)16-11(2)15(13(4)19)12(3)17-16/h10,17H,5-9H2,1-4H3/p+1/t10-/m1/s1