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

Systemtic Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(2-methyl-3-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C38H55IN2O2 MolecularWeight: 698.75997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C38H55N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-30-42-37-24-20-23-36(33(37)3)32-40(38(41)35-21-17-16-18-22-35)31-34-25-28-39(27-5-2)29-26-34;/h16-18,20-26,28-29H,4-15,19,27,30-32H2,1-3H3;1H/q+1;/p-1