1-(1-methylpiperidin-1-ium-1-yl)butan-2-ol ethanoate

Systemtic Name: 1-(1-methylpiperidin-1-ium-1-yl)butan-2-ol ethanoate Openeye Name: 1-(1-methylpiperidin-1-ium-1-yl)butan-2-ol acetate CAS Name: 1-(1-methyl-1-piperidin-1-iumyl)-2-butanol acetate IUPAC Name: 1-(1-methylpiperidin-1-ium-1-yl)butan-2-ol acetate Traditional Name: 1-(1-methylpiperidin-1-ium-1-yl)butan-2-ol acetate Formula: C12H25NO3 MolecularWeight: 231.3318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+]1(CCCCC1)C)O.CC(=O)[O-]

Isomeric SMILES

CCC(C[N+]1(CCCCC1)C)O.CC(=O)[O-]

InChI

InChI=1S/C10H22NO.C2H4O2/c1-3-10(12)9-11(2)7-5-4-6-8-11;1-2(3)4/h10,12H,3-9H2,1-2H3;1H3,(H,3,4)/q+1;/p-1