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

Systemtic Name: N-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C35H57IN2O2 MolecularWeight: 664.74375

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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)C(C)(C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C35H57N2O2.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-39-34-24-23-32(27-33(34)35(3,4)5)37(30(2)38)29-31-22-21-25-36(6)28-31;/h21-25,27-28H,7-20,26,29H2,1-6H3;1H/q+1;/p-1