N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C30H46ClIN2O2 MolecularWeight: 629.05591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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