N-[[3-(hexoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[3-(hexoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-(hexoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-(hexoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(hexoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[3-(hexoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]nicotinamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-2-3-4-7-13-27-17-25-16-24(19-10-5-6-11-20(19)25)15-23-21(26)18-9-8-12-22-14-18/h5-6,8-12,14H,2-4,7,13,15-17H2,1H3,(H,23,26)/p+1