N-(2-methoxyphenyl)carbonyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide

Systemtic Name: N-(2-methoxyphenyl)carbonyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide Openeye Name: N-(2-methoxybenzoyl)-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-2-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-3-tetradecoxybenzamide iodide IUPAC Name: N-(2-methoxybenzoyl)-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxybenzamide iodide Traditional Name: 2-methyl-3-myristyloxy-N-o-anisoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C39H55IN2O4 MolecularWeight: 742.76947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC.[I-]

InChI

InChI=1S/C39H55N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-21-30-45-36-27-22-25-34(32(36)3)38(42)41(31-33-23-19-20-29-40(33)28-6-2)39(43)35-24-17-18-26-37(35)44-4;/h17-20,22-27,29H,5-16,21,28,30-31H2,1-4H3;1H/q+1;/p-1