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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C35H48ClIN2O2 MolecularWeight: 691.12529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-17-26-40-34-21-20-31(27-33(34)36)29-38(28-30-22-24-37(2)25-23-30)35(39)32-18-15-14-16-19-32;/h14-16,18-25,27H,3-13,17,26,28-29H2,1-2H3;1H/q+1;/p-1