N-[1-(4-hexadecoxy-3-methoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[1-(4-hexadecoxy-3-methoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(4-hexadecoxy-3-methoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(4-hexadecoxy-3-methoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-hexadecoxy-3-methoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-3-methoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C34H55IN2O3 MolecularWeight: 666.71657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-27-39-32-24-23-30(28-33(32)38-4)29(3)35-34(37)31-22-19-20-26-36(31)25-6-2;/h19-20,22-24,26,28-29H,5-18,21,25,27H2,1-4H3;1H