N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-ethyl-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Formula: C35H48ClIN2O2 MolecularWeight: 691.12529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)Cl.[I-]

InChI

InChI=1S/C35H48ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-20-27-40-34-25-24-30(28-32(34)36)29-38(31-21-16-15-17-22-31)35(39)33-23-18-19-26-37(33)4-2;/h15-19,21-26,28H,3-14,20,27,29H2,1-2H3;1H/q+1;/p-1