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

Systemtic Name: 1-ethyl-N-[1-(4-hexadecoxy-2-methyl-phenyl)ethyl]pyridin-1-ium-2-carboxamide iodide Openeye Name: 1-ethyl-N-[1-(4-hexadecoxy-2-methyl-phenyl)ethyl]pyridin-1-ium-2-carboxamide iodide CAS Name: 1-ethyl-N-[1-(4-hexadecoxy-2-methylphenyl)ethyl]-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[1-(4-hexadecoxy-2-methylphenyl)ethyl]pyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-2-methyl-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CC)C.[I-]

InChI

InChI=1S/C33H52N2O2.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-26-37-30-23-24-31(28(3)27-30)29(4)34-33(36)32-22-19-20-25-35(32)6-2;/h19-20,22-25,27,29H,5-18,21,26H2,1-4H3;1H