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

Systemtic Name: N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(3-methoxy-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-methoxy-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(3-methoxy-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C38H55IN2O3 MolecularWeight: 714.75937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C38H55N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-30-43-37-35(23-20-24-36(37)42-3)32-40(38(41)34-21-17-16-18-22-34)31-33-25-28-39(27-5-2)29-26-33;/h16-18,20-26,28-29H,4-15,19,27,30-32H2,1-3H3;1H/q+1;/p-1