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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide CAS Name: N-(1-benzotriazolylmethyl)-1-(octoxymethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-carboxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-2-3-4-5-6-9-15-29-18-26-14-10-11-19(16-26)22(28)23-17-27-21-13-8-7-12-20(21)24-25-27/h7-8,10-14,16H,2-6,9,15,17-18H2,1H3/p+1