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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C34H46ClIN2O2 MolecularWeight: 677.09871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-17-25-39-33-23-22-29(26-32(33)35)27-37(31-20-15-14-16-21-31)34(38)30-19-18-24-36(2)28-30;/h14-16,18-24,26,28H,3-13,17,25,27H2,1-2H3;1H/q+1;/p-1