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

Systemtic Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(2-methyl-3-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

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

InChI

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