1-[[4-(4-methylnonyl)-8-pentyl-tetradecoxy]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[[4-(4-methylnonyl)-8-pentyl-tetradecoxy]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[[4-(4-methylnonyl)-8-pentyl-tetradecoxy]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[[4-(4-methylnonyl)-8-pentyltetradecoxy]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[[4-(4-methylnonyl)-8-pentyltetradecoxy]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[[8-amyl-4-(4-methylnonyl)tetradecoxy]methyl]pyridin-1-ium-3-carboxamide Formula: C36H67N2O2+ MolecularWeight: 559.92938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)CCCC(CCCC(C)CCCCC)CCCOC[N+]1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CCCCCCC(CCCCC)CCCC(CCCC(C)CCCCC)CCCOC[N+]1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C36H66N2O2/c1-5-8-11-14-22-33(21-13-10-7-3)24-16-25-34(23-15-20-32(4)19-12-9-6-2)26-18-29-40-31-38-28-17-27-35(30-38)36(37)39/h17,27-28,30,32-34H,5-16,18-26,29,31H2,1-4H3,(H-,37,39)/p+1