2-chloranyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide

Systemtic Name: 2-chloranyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 2-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 2-chloro-4-hexadecoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 4-cetyloxy-2-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C30H46ClIN2O2 MolecularWeight: 629.05591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)Cl.[I-]

InChI

InChI=1S/C30H45ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-27-17-18-28(29(31)24-27)30(34)32-25-26-19-21-33(2)22-20-26;/h17-22,24H,3-16,23,25H2,1-2H3;1H