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

Systemtic Name: N-[[3-(heptoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-(heptoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-(heptoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(heptoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[3-(heptoxymethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]methyl]nicotinamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCOCN1C[NH+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H30N4O2/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/h6-7,9-13,15H,2-5,8,14,16-18H2,1H3,(H,24,27)/p+1