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

Systemtic Name: 1-methyl-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: 1-methyl-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: 1-methyl-N-[(2-methyl-4-tetradecoxyphenyl)methyl]-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-N-[(2-methyl-4-tetradecoxyphenyl)methyl]-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: 1-methyl-N-(2-methyl-4-myristyloxy-benzyl)-N-phenyl-pyridin-1-ium-2-carboxamide iodide Formula: C35H49IN2O2 MolecularWeight: 656.68023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C.[I-]

InChI

InChI=1S/C35H49N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-20-27-39-33-25-24-31(30(2)28-33)29-37(32-21-16-15-17-22-32)35(38)34-23-18-19-26-36(34)3;/h15-19,21-26,28H,4-14,20,27,29H2,1-3H3;1H/q+1;/p-1