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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=[N+](C=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)22-14-17-29(18-15-22)20-21-12-13-23(26)24(27)19-21;/h12-15,17-19H,2-11,16,20H2,1H3;1H