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

Systemtic Name: N-[[3-(heptoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Openeye Name: N-[[3-(heptoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride CAS Name: N-[[3-(heptoxymethyl)-1-benzimidazol-1-iumyl]methyl]-3-pyridinecarboxamide chloride IUPAC Name: N-[[3-(heptoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide chloride Traditional Name: N-[[3-(heptoxymethyl)benzimidazol-1-ium-1-yl]methyl]nicotinamide chloride Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C22H28N4O2.ClH/c1-2-3-4-5-8-14-28-18-26-17-25(20-11-6-7-12-21(20)26)16-24-22(27)19-10-9-13-23-15-19;/h6-7,9-13,15,17H,2-5,8,14,16,18H2,1H3;1H