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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 2-chloro-N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C35H47Cl2IN2O2 MolecularWeight: 725.57035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl)Cl.[I-]

InChI

InChI=1S/C35H47Cl2N2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-41-34-22-21-29(25-33(34)37)27-39(28-30-18-17-23-38(2)26-30)35(40)31-19-14-15-20-32(31)36;/h14-15,17-23,25-26H,3-13,16,24,27-28H2,1-2H3;1H/q+1;/p-1