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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 2-chloro-N-(3-chloro-4-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C36H49Cl2IN2O2 MolecularWeight: 739.59693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49Cl2N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-26-42-35-21-20-31(27-34(35)38)29-40(28-30-22-24-39(4-2)25-23-30)36(41)32-18-15-16-19-33(32)37;/h15-16,18-25,27H,3-14,17,26,28-29H2,1-2H3;1H/q+1;/p-1