N-[[3-(hexoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride

Systemtic Name: N-[[3-(hexoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Openeye Name: N-[[3-(hexoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride CAS Name: N-[[3-(hexoxymethyl)-1-benzimidazol-1-iumyl]methyl]-3-pyridinecarboxamide chloride IUPAC Name: N-[[3-(hexoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Traditional Name: N-[[3-(hexoxymethyl)benzimidazol-1-ium-1-yl]methyl]nicotinamide chloride Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C21H26N4O2.ClH/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;/h5-6,8-12,14,16H,2-4,7,13,15,17H2,1H3;1H