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

Systemtic Name: 3-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide Openeye Name: 3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide iodide CAS Name: 3-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxybenzamide iodide IUPAC Name: 3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxybenzamide iodide Traditional Name: 4-cetyloxy-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-36-30-22-21-27(25-29(30)32)31(35)33-26-28-20-17-18-23-34(28)4-2;/h17-18,20-23,25H,3-16,19,24,26H2,1-2H3;1H