N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine CAS Name: N-(1-benzotriazolylmethyl)-1-(octoxymethyl)-3-pyridin-1-iumamine IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine Traditional Name: benzotriazol-1-ylmethyl-[1-(octoxymethyl)pyridin-1-ium-3-yl]amine Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H30N5O/c1-2-3-4-5-6-9-15-27-18-25-14-10-11-19(16-25)22-17-26-21-13-8-7-12-20(21)23-24-26/h7-8,10-14,16,22H,2-6,9,15,17-18H2,1H3/q+1