(2R,3S)-3,5-dibutyl-2-pentyl-1-propyl-2,3-dihydropyridin-1-ium

Systemtic Name: (2R,3S)-3,5-dibutyl-2-pentyl-1-propyl-2,3-dihydropyridin-1-ium Openeye Name: (2R,3S)-3,5-dibutyl-2-pentyl-1-propyl-2,3-dihydropyridin-1-ium CAS Name: (2R,3S)-3,5-dibutyl-2-pentyl-1-propyl-2,3-dihydropyridin-1-ium IUPAC Name: (2R,3S)-3,5-dibutyl-2-pentyl-1-propyl-2,3-dihydropyridin-1-ium Traditional Name: (2R,3S)-2-amyl-3,5-dibutyl-1-propyl-2,3-dihydropyridin-1-ium Formula: C21H40N+ MolecularWeight: 306.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C=C(C=[N+]1CCC)CCCC)CCCC

Isomeric SMILES

CCCCC[C@@H]1[C@H](C=C(C=[N+]1CCC)CCCC)CCCC

InChI

InChI=1S/C21H40N/c1-5-9-12-15-21-20(14-11-7-3)17-19(13-10-6-2)18-22(21)16-8-4/h17-18,20-21H,5-16H2,1-4H3/q+1/t20-,21+/m0/s1