3-tert-butyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 3-tert-butyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-tert-butyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-tert-butyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-tert-butyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-tert-butyl-4-myristyloxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C34H54N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-25-38-32-22-21-30(26-31(32)34(3,4)5)33(37)35-27-29-20-19-24-36(28-29)23-7-2;/h19-22,24,26,28H,6-18,23,25,27H2,1-5H3;1H