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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxo-butanamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-3-oxobutanamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxobutanamide iodide Traditional Name: 3-keto-2-(4-lauryloxy-3-methoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]butyramide iodide Formula: C30H45IN2O5 MolecularWeight: 640.59317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C30H44N2O5.HI/c1-5-6-7-8-9-10-11-12-13-16-21-36-27-19-18-26(22-28(27)35-4)37-29(24(2)33)30(34)31-23-25-17-14-15-20-32(25)3;/h14-15,17-20,22,29H,5-13,16,21,23H2,1-4H3;1H