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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide CAS Name: N-(1-benzotriazolylmethyl)-1-(hexoxymethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(benzotriazol-1-ylmethyl)-1-(hexoxymethyl)pyridin-1-ium-3-carboxamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c1-2-3-4-7-13-27-16-24-12-8-9-17(14-24)20(26)21-15-25-19-11-6-5-10-18(19)22-23-25/h5-6,8-12,14H,2-4,7,13,15-16H2,1H3/p+1