1-ethyl-N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide

Systemtic Name: 1-ethyl-N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide Openeye Name: 1-ethyl-N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]pyridin-1-ium-4-carboxamide iodide CAS Name: 1-ethyl-N-[1-(4-hexadecoxy-3-methoxyphenyl)propyl]-4-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[1-(4-hexadecoxy-3-methoxyphenyl)propyl]pyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-3-methoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Formula: C34H55IN2O3 MolecularWeight: 666.71657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O3.HI/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-27-39-32-22-21-30(28-33(32)38-4)31(6-2)35-34(37)29-23-25-36(7-3)26-24-29;/h21-26,28,31H,5-20,27H2,1-4H3;1H