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

Systemtic Name: N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-chloro-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C37H52ClIN2O2 MolecularWeight: 719.17845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C37H52ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-18-28-42-36-34(24-19-25-35(36)38)31-40(37(41)33-22-16-15-17-23-33)30-32-21-20-27-39(29-32)26-4-2;/h15-17,19-25,27,29H,3-14,18,26,28,30-31H2,1-2H3;1H/q+1;/p-1