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

Systemtic Name: 4-hexadecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 4-hexadecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 4-hexadecoxy-3-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-hexadecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 4-cetyloxy-3-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)OC.[I-]

InChI

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