N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methyl-benzamide

Systemtic Name: N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methyl-benzamide Openeye Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methyl-benzamide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxy-2-methylbenzamide IUPAC Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methylbenzamide Traditional Name: N-acetyl-4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-benzamide Formula: C34H53N2O3+ MolecularWeight: 537.79622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C

InChI

InChI=1S/C34H53N2O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-26-39-32-23-24-33(29(3)27-32)34(38)36(30(4)37)28-31-22-19-20-25-35(31)6-2/h19-20,22-25,27H,5-18,21,26,28H2,1-4H3/q+1