2-chloranyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide

Systemtic Name: 2-chloranyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-2-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C38H54ClIN2O2 MolecularWeight: 733.20503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3Cl)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3Cl)C.[I-]

InChI

InChI=1S/C38H54ClN2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-43-35-23-22-34(32(2)29-35)31-41(30-33-24-26-40(3)27-25-33)38(42)36-20-17-18-21-37(36)39;/h17-18,20-27,29H,4-16,19,28,30-31H2,1-3H3;1H/q+1;/p-1