2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCCC(C2)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCC[C@@H](C2)O

InChI

InChI=1S/C14H22N2O2/c1-10-7-13(11(2)15(10)3)14(18)9-16-6-4-5-12(17)8-16/h7,12,17H,4-6,8-9H2,1-3H3/p+1/t12-/m0/s1