N-(4-chlorophenyl)-1-[2-(dodecylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-chlorophenyl)-1-[2-(dodecylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: N-(4-chlorophenyl)-1-[2-(dodecylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-(4-chlorophenyl)-1-[2-(dodecylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: N-(4-chlorophenyl)-1-[2-keto-2-(laurylamino)ethyl]pyridin-1-ium-3-carboxamide Formula: C26H37ClN3O2+ MolecularWeight: 459.04388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C26H36ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-18-28-25(31)21-30-19-12-13-22(20-30)26(32)29-24-16-14-23(27)15-17-24/h12-17,19-20H,2-11,18,21H2,1H3,(H-,28,29,31,32)/p+1