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

Systemtic Name: 4-methoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-4-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-4-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-3-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-4-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-4-methoxy-3-myristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C38H53IN2O4 MolecularWeight: 728.74289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H53N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-21-29-44-36-30-33(25-26-35(36)43-3)38(42)40(37(41)32-22-17-16-18-23-32)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