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

Systemtic Name: 4-hexadecoxy-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 4-hexadecoxy-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 4-hexadecoxy-2-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-hexadecoxy-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 4-cetyloxy-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C31H48N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-36-28-21-22-29(30(25-28)35-3)31(34)32-26-27-20-17-18-23-33(27)2;/h17-18,20-23,25H,4-16,19,24,26H2,1-3H3;1H