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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-hexadecoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-3-chloro-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C32H50ClIN2O2 MolecularWeight: 657.10907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)Cl.[I-]

InChI

InChI=1S/C32H49ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-37-31-21-20-28(24-30(31)33)25-32(36)34-26-29-19-18-22-35(4-2)27-29;/h18-22,24,27H,3-17,23,25-26H2,1-2H3;1H