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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C32H50ClIN2O2 MolecularWeight: 657.10907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-37-31-19-18-28(26-30(31)33)27-34-32(36)29-20-23-35(22-4-2)24-21-29;/h18-21,23-24,26H,3-17,22,25,27H2,1-2H3;1H