N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(2-methyl-3-myristyloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C31H49IN2O2 MolecularWeight: 608.63743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(=O)C2=CC=[N+](C=C2)CCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(=O)C2=CC=[N+](C=C2)CCC.[I-]

InChI

InChI=1S/C31H48N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-25-35-30-19-17-18-29(27(30)3)26-32-31(34)28-20-23-33(22-5-2)24-21-28;/h17-21,23-24H,4-16,22,25-26H2,1-3H3;1H