2-(4-hexadecoxy-2-methyl-phenoxy)-3-oxidanylidene-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide

Systemtic Name: 2-(4-hexadecoxy-2-methyl-phenoxy)-3-oxidanylidene-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide Openeye Name: 2-(4-hexadecoxy-2-methyl-phenoxy)-3-oxo-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide CAS Name: 2-(4-hexadecoxy-2-methylphenoxy)-3-oxo-N-[(1-propyl-2-pyridin-1-iumyl)methyl]butanamide iodide IUPAC Name: 2-(4-hexadecoxy-2-methylphenoxy)-3-oxo-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide Traditional Name: 2-(4-cetyloxy-2-methyl-phenoxy)-3-keto-N-[(1-propylpyridin-1-ium-2-yl)methyl]butyramide iodide Formula: C36H57IN2O4 MolecularWeight: 708.75325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H56N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-27-41-33-23-24-34(30(3)28-33)42-35(31(4)39)36(40)37-29-32-22-19-20-26-38(32)25-6-2;/h19-20,22-24,26,28,35H,5-18,21,25,27,29H2,1-4H3;1H