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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide iodide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxo-butanamide iodide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-3-oxobutanamide iodide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxobutanamide iodide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-3-keto-N-[(1-methylpyridin-1-ium-2-yl)methyl]butyramide iodide Formula: C33H50ClIN2O4 MolecularWeight: 701.11857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49ClN2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-39-31-22-21-29(25-30(31)34)40-32(27(2)37)33(38)35-26-28-20-17-18-23-36(28)3;/h17-18,20-23,25,32H,4-16,19,24,26H2,1-3H3;1H