N-(benzotriazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzotriazolylmethyl)-1-(dodecoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzotriazol-1-ylmethyl-[1-(lauryloxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C25H38ClN5O MolecularWeight: 460.05512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2.[Cl-]

InChI

InChI=1S/C25H38N5O.ClH/c1-2-3-4-5-6-7-8-9-10-13-19-31-22-29-18-14-15-23(20-29)26-21-30-25-17-12-11-16-24(25)27-28-30;/h11-12,14-18,20,26H,2-10,13,19,21-22H2,1H3;1H/q+1;/p-1