4-hexadecoxy-3-methoxy-N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: 4-hexadecoxy-3-methoxy-N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 4-hexadecoxy-3-methoxy-N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 4-hexadecoxy-3-methoxy-N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-hexadecoxy-3-methoxy-N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 4-cetyloxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-o-anisoyl-benzamide iodide Formula: C39H55IN2O5 MolecularWeight: 758.76887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)OC.[I-]

InChI

InChI=1S/C39H55N2O5.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-46-36-27-26-32(30-37(36)45-4)38(42)41(31-33-23-20-21-28-40(33)2)39(43)34-24-18-19-25-35(34)44-3;/h18-21,23-28,30H,5-17,22,29,31H2,1-4H3;1H/q+1;/p-1