(3S)-6-methyl-3-piperidin-1-ium-1-yl-hept-5-en-2-one

Systemtic Name: (3S)-6-methyl-3-piperidin-1-ium-1-yl-hept-5-en-2-one Openeye Name: (3S)-6-methyl-3-piperidin-1-ium-1-yl-hept-5-en-2-one CAS Name: (3S)-6-methyl-3-(1-piperidin-1-iumyl)-5-hepten-2-one IUPAC Name: (3S)-6-methyl-3-piperidin-1-ium-1-ylhept-5-en-2-one Traditional Name: (3S)-6-methyl-3-piperidin-1-ium-1-yl-hept-5-en-2-one Formula: C13H24NO+ MolecularWeight: 210.33576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=O)C)[NH+]1CCCCC1)C

Isomeric SMILES

CC(=CC[C@@H](C(=O)C)[NH+]1CCCCC1)C

InChI

InChI=1S/C13H23NO/c1-11(2)7-8-13(12(3)15)14-9-5-4-6-10-14/h7,13H,4-6,8-10H2,1-3H3/p+1/t13-/m0/s1