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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-3-oxidanylidene-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-3-oxo-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-3-oxo-N-[(1-propyl-2-pyridin-1-iumyl)methyl]butanamide iodide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-3-oxo-N-[(1-propylpyridin-1-ium-2-yl)methyl]butanamide iodide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-3-keto-N-[(1-propylpyridin-1-ium-2-yl)methyl]butyramide iodide Formula: C35H54ClIN2O4 MolecularWeight: 729.17173

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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+]2CCC)Cl.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C35H53ClN2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-41-33-23-22-31(27-32(33)36)42-34(29(3)39)35(40)37-28-30-21-18-19-25-38(30)24-5-2;/h18-19,21-23,25,27,34H,4-17,20,24,26,28H2,1-3H3;1H