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

Systemtic Name: N-ethanoyl-4-hexadecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-acetyl-4-cetyloxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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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)C)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C33H51N2O4.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-39-31-23-22-29(26-32(31)38-4)33(37)35(28(2)36)27-30-21-18-19-24-34(30)3;/h18-19,21-24,26H,5-17,20,25,27H2,1-4H3;1H/q+1;/p-1