2-methyl-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 2-methyl-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-2-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-2-methyl-4-myristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C38H53IN2O3 MolecularWeight: 712.74349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C38H53N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-21-29-43-35-25-26-36(32(3)30-35)38(42)40(37(41)33-22-17-16-18-23-33)31-34-24-19-20-28-39(34)27-5-2;/h16-20,22-26,28,30H,4-15,21,27,29,31H2,1-3H3;1H/q+1;/p-1