1-methyl-N-[1-(2-methyl-4-tetradecoxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide

Systemtic Name: 1-methyl-N-[1-(2-methyl-4-tetradecoxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide Openeye Name: 1-methyl-N-[1-(2-methyl-4-tetradecoxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide CAS Name: 1-methyl-N-[1-(2-methyl-4-tetradecoxyphenyl)propyl]-4-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-N-[1-(2-methyl-4-tetradecoxyphenyl)propyl]pyridin-1-ium-4-carboxamide iodide Traditional Name: 1-methyl-N-[1-(2-methyl-4-myristyloxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide Formula: C31H49IN2O2 MolecularWeight: 608.63743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(CC)NC(=O)C2=CC=[N+](C=C2)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(CC)NC(=O)C2=CC=[N+](C=C2)C)C.[I-]

InChI

InChI=1S/C31H48N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-24-35-28-18-19-29(26(3)25-28)30(6-2)32-31(34)27-20-22-33(4)23-21-27;/h18-23,25,30H,5-17,24H2,1-4H3;1H