N-ethanoyl-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-ethanoyl-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide; tris(fluoranyl)methanesulfonate Openeye Name: N-acetyl-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide; trifluoromethanesulfonate CAS Name: N-acetyl-3-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide; trifluoromethanesulfonate IUPAC Name: N-acetyl-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide; trifluoromethanesulfonate Traditional Name: N-acetyl-3-methoxy-4-myristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide triflate Formula: C34H51F3N2O7S MolecularWeight: 688.83815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C33H51N2O4.CHF3O3S/c1-5-7-8-9-10-11-12-13-14-15-16-19-25-39-31-22-21-29(26-32(31)38-4)33(37)35(28(3)36)27-30-20-17-18-24-34(30)23-6-2;2-1(3,4)8(5,6)7/h17-18,20-22,24,26H,5-16,19,23,25,27H2,1-4H3;(H,5,6,7)/q+1;/p-1