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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(pentoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(pentoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzotriazolylmethyl)-1-(pentoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(pentoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: [1-(amoxymethyl)pyridin-1-ium-3-yl]-(benzotriazol-1-ylmethyl)amine chloride Formula: C18H24ClN5O MolecularWeight: 361.86906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N5O.ClH/c1-2-3-6-12-24-15-22-11-7-8-16(13-22)19-14-23-18-10-5-4-9-17(18)20-21-23;/h4-5,7-11,13,19H,2-3,6,12,14-15H2,1H3;1H/q+1;/p-1