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

Systemtic Name: N-(3-chloranyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-(3-chloro-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-(3-chloro-4-hexadecoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-chloro-4-hexadecoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=C[N+](=CC=C2)C)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=C[N+](=CC=C2)C)C(=O)C)Cl.[I-]

InChI

InChI=1S/C31H48ClN2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-36-31-21-20-29(24-30(31)32)34(27(2)35)26-28-19-18-22-33(3)25-28;/h18-22,24-25H,4-17,23,26H2,1-3H3;1H/q+1;/p-1