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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzotriazolylmethyl)-1-(heptoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzotriazol-1-ylmethyl-[1-(heptoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C20H28ClN5O MolecularWeight: 389.92222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N5O.ClH/c1-2-3-4-5-8-14-26-17-24-13-9-10-18(15-24)21-16-25-20-12-7-6-11-19(20)22-23-25;/h6-7,9-13,15,21H,2-5,8,14,16-17H2,1H3;1H/q+1;/p-1