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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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