1-dodecyl-1-[(2-ethenylphenyl)methyl]piperidin-1-ium chloride

Systemtic Name: 1-dodecyl-1-[(2-ethenylphenyl)methyl]piperidin-1-ium chloride Openeye Name: 1-dodecyl-1-[(2-vinylphenyl)methyl]piperidin-1-ium chloride CAS Name: 1-dodecyl-1-[(2-ethenylphenyl)methyl]piperidin-1-ium chloride IUPAC Name: 1-dodecyl-1-[(2-ethenylphenyl)methyl]piperidin-1-ium chloride Traditional Name: 1-lauryl-1-(2-vinylbenzyl)piperidin-1-ium chloride Formula: C26H44ClN MolecularWeight: 406.08726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCCCC1)CC2=CC=CC=C2C=C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCCCC1)CC2=CC=CC=C2C=C.[Cl-]

InChI

InChI=1S/C26H44N.ClH/c1-3-5-6-7-8-9-10-11-12-16-21-27(22-17-13-18-23-27)24-26-20-15-14-19-25(26)4-2;/h4,14-15,19-20H,2-3,5-13,16-18,21-24H2,1H3;1H/q+1;/p-1