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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C39H56ClIN2O2 MolecularWeight: 747.23161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3)Cl.[I-]

InChI

InChI=1S/C39H56ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-29-44-38-26-25-34(30-37(38)40)32-42(39(43)36-23-18-17-19-24-36)33-35-22-21-28-41(31-35)27-4-2;/h17-19,21-26,28,30-31H,3-16,20,27,29,32-33H2,1-2H3;1H/q+1;/p-1