N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Formula: C34H46ClIN2O2 MolecularWeight: 677.09871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CCC)Cl.[I-]

InChI

InChI=1S/C34H46ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-16-25-39-33-22-21-29(26-32(33)35)27-37(31-19-14-13-15-20-31)34(38)30-18-17-24-36(28-30)23-4-2;/h13-15,17-22,24,26,28H,3-12,16,23,25,27H2,1-2H3;1H/q+1;/p-1