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

Systemtic Name: 3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C29H45IN2O3 MolecularWeight: 596.58367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C29H44N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-34-27-20-19-25(23-28(27)33-3)29(32)30-24-26-18-15-16-21-31(26)2;/h15-16,18-21,23H,4-14,17,22,24H2,1-3H3;1H