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

Systemtic Name: 3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-methoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-methoxy-N-[(1-methylpyridin-1-ium-3-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=C[N+](=CC=C2)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)C)OC.[I-]

InChI

InChI=1S/C29H44N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-34-27-19-18-26(22-28(27)33-3)29(32)30-23-25-17-16-20-31(2)24-25;/h16-20,22,24H,4-15,21,23H2,1-3H3;1H