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

Systemtic Name: N-phenyl-1-propyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Openeye Name: N-phenyl-1-propyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide CAS Name: N-phenyl-1-propyl-N-[(4-tetradecoxyphenyl)methyl]-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-phenyl-1-propyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-myristyloxybenzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H51N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-18-29-40-35-25-23-32(24-26-35)30-38(34-21-16-15-17-22-34)36(39)33-20-19-28-37(31-33)27-4-2;/h15-17,19-26,28,31H,3-14,18,27,29-30H2,1-2H3;1H/q+1;/p-1