1-[(3,4-dichlorophenyl)methyl]-N-dodecyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-N-dodecyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-N-dodecyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[(3,4-dichlorophenyl)methyl]-N-dodecyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-N-dodecylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(3,4-dichlorobenzyl)-N-lauryl-pyridin-1-ium-3-carboxamide chloride Formula: C25H35Cl3N2O MolecularWeight: 485.9172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34Cl2N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-16-28-25(30)22-13-12-17-29(20-22)19-21-14-15-23(26)24(27)18-21;/h12-15,17-18,20H,2-11,16,19H2,1H3;1H