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

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-36-29-19-18-27(25-30(29)35-3)26-32-31(34)28-20-22-33(2)23-21-28;/h18-23,25H,4-17,24,26H2,1-3H3;1H