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

Systemtic Name: 3-chloranyl-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide Openeye Name: N-acetyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide CAS Name: N-acetyl-3-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxybenzamide iodide IUPAC Name: N-acetyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxybenzamide iodide Traditional Name: N-acetyl-4-cetyloxy-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C33H50ClIN2O3 MolecularWeight: 685.11917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C33H50ClN2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-39-32-23-22-29(26-31(32)34)33(38)36(28(3)37)27-30-21-18-19-24-35(30)5-2;/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3;1H/q+1;/p-1