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

Systemtic Name: N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(4-hexadecoxy-3-methoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(4-hexadecoxy-3-methoxyphenyl)propyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-hexadecoxy-3-methoxyphenyl)propyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-3-methoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C35H57IN2O3 MolecularWeight: 680.74315

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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)CCC)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O3.HI/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-28-40-33-22-21-31(29-34(33)39-4)32(7-3)36-35(38)30-23-26-37(25-6-2)27-24-30;/h21-24,26-27,29,32H,5-20,25,28H2,1-4H3;1H