2-(3-methoxy-4-tetradecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide iodide

Systemtic Name: 2-(3-methoxy-4-tetradecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide iodide Openeye Name: 2-(3-methoxy-4-tetradecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxo-butanamide iodide CAS Name: 2-(3-methoxy-4-tetradecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-3-oxobutanamide iodide IUPAC Name: 2-(3-methoxy-4-tetradecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxobutanamide iodide Traditional Name: 3-keto-2-(3-methoxy-4-myristyloxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]butyramide iodide Formula: C32H49IN2O5 MolecularWeight: 668.64633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C32H48N2O5.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-38-29-21-20-28(24-30(29)37-4)39-31(26(2)35)32(36)33-25-27-19-16-17-22-34(27)3;/h16-17,19-22,24,31H,5-15,18,23,25H2,1-4H3;1H