1-hexadecylpyridin-1-ium; N-(pyridin-1-ium-1-ylmethyl)octadecan-1-amine; dichloride

Systemtic Name: 1-hexadecylpyridin-1-ium; N-(pyridin-1-ium-1-ylmethyl)octadecan-1-amine; dichloride Openeye Name: 1-hexadecylpyridin-1-ium; N-(pyridin-1-ium-1-ylmethyl)octadecan-1-amine; dichloride CAS Name: 1-hexadecylpyridin-1-ium; N-(1-pyridin-1-iumylmethyl)-1-octadecanamine; dichloride IUPAC Name: 1-hexadecylpyridin-1-ium; N-(pyridin-1-ium-1-ylmethyl)octadecan-1-amine; dichloride Traditional Name: 1-cetylpyridin-1-ium; pyridin-1-ium-1-ylmethyl(stearyl)amine; dichloride Formula: C45H83Cl2N3 MolecularWeight: 737.06662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C24H45N2.C21H38N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25-24-26-22-19-17-20-23-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h17,19-20,22-23,25H,2-16,18,21,24H2,1H3;15,17-18,20-21H,2-14,16,19H2,1H3;2*1H/q2*+1;;/p-2