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

Systemtic Name: (2R,3S)-3,5-dibutyl-2-pentyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium chloride Openeye Name: (2R,3S)-1-benzyl-3,5-dibutyl-2-pentyl-2,3-dihydropyridin-1-ium chloride CAS Name: (2R,3S)-3,5-dibutyl-2-pentyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium chloride IUPAC Name: (2R,3S)-1-benzyl-3,5-dibutyl-2-pentyl-2,3-dihydropyridin-1-ium chloride Traditional Name: (2R,3S)-2-amyl-1-benzyl-3,5-dibutyl-2,3-dihydropyridin-1-ium chloride Formula: C25H40ClN MolecularWeight: 390.0448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C=C(C=[N+]1CC2=CC=CC=C2)CCCC)CCCC.[Cl-]

Isomeric SMILES

CCCCC[C@@H]1[C@H](C=C(C=[N+]1CC2=CC=CC=C2)CCCC)CCCC.[Cl-]

InChI

InChI=1S/C25H40N.ClH/c1-4-7-11-18-25-24(17-9-6-3)19-23(14-8-5-2)21-26(25)20-22-15-12-10-13-16-22;/h10,12-13,15-16,19,21,24-25H,4-9,11,14,17-18,20H2,1-3H3;1H/q+1;/p-1/t24-,25+;/m0./s1