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

Systemtic Name: N-[1-(4-dodecoxy-2-methyl-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(4-dodecoxy-2-methyl-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(4-dodecoxy-2-methylphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-dodecoxy-2-methylphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-lauryloxy-2-methyl-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-5-7-8-9-10-11-12-13-14-17-23-34-27-19-20-28(25(3)24-27)26(4)31-30(33)29-18-15-16-22-32(29)21-6-2;/h15-16,18-20,22,24,26H,5-14,17,21,23H2,1-4H3;1H