(3S)-1-[(5R)-5-butyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl]heptan-3-olate

Systemtic Name: (3S)-1-[(5R)-5-butyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl]heptan-3-olate Openeye Name: (3S)-1-[(5R)-5-butyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl]heptan-3-olate CAS Name: (3S)-1-[(5R)-5-butyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl]-3-heptanolate IUPAC Name: (3S)-1-[(5R)-5-butyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl]heptan-3-olate Traditional Name: (3S)-1-[(5R)-5-butyl-2,3,4,5-tetrahydropyridin-1-ium-1-yl]heptan-3-olate Formula: C16H31NO MolecularWeight: 253.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC[N+](=C1)CCC(CCCC)[O-]

Isomeric SMILES

CCCC[C@@H]1CCC[N+](=C1)CC[C@H](CCCC)[O-]

InChI

InChI=1S/C16H31NO/c1-3-5-8-15-9-7-12-17(14-15)13-11-16(18)10-6-4-2/h14-16H,3-13H2,1-2H3/t15-,16+/m1/s1