N-[1-(3-tert-butyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[1-(3-tert-butyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(3-tert-butyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(3-tert-butyl-4-tetradecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-tert-butyl-4-tetradecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(3-tert-butyl-4-myristyloxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C35H57IN2O2 MolecularWeight: 664.74375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C35H56N2O2.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-27-39-33-24-23-30(28-31(33)35(4,5)6)29(3)36-34(38)32-22-19-20-26-37(32)25-8-2;/h19-20,22-24,26,28-29H,7-18,21,25,27H2,1-6H3;1H