N-dodecyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-dodecyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-benzyl-N-dodecyl-pyridin-1-ium-3-carboxamide chloride CAS Name: N-dodecyl-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-benzyl-N-dodecylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-benzyl-N-lauryl-pyridin-1-ium-3-carboxamide chloride Formula: C25H37ClN2O MolecularWeight: 417.02708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C25H36N2O.ClH/c1-2-3-4-5-6-7-8-9-10-14-19-26-25(28)24-18-15-20-27(22-24)21-23-16-12-11-13-17-23;/h11-13,15-18,20,22H,2-10,14,19,21H2,1H3;1H