[3-(4-chlorophenyl)-2-(methylamino)-3-oxidanylidene-propanoyl]-bis(2-hydroxyethyl)-phenyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-2-(methylamino)-3-oxidanylidene-propanoyl]-bis(2-hydroxyethyl)-phenyl-azanium Openeye Name: [3-(4-chlorophenyl)-2-(methylamino)-3-oxo-propanoyl]-bis(2-hydroxyethyl)-phenyl-ammonium CAS Name: [3-(4-chlorophenyl)-2-(methylamino)-1,3-dioxopropyl]-bis(2-hydroxyethyl)-phenylammonium IUPAC Name: [3-(4-chlorophenyl)-2-(methylamino)-3-oxopropanoyl]-bis(2-hydroxyethyl)-phenylazanium Traditional Name: [3-(4-chlorophenyl)-3-keto-2-(methylamino)propanoyl]-bis(2-hydroxyethyl)-phenyl-ammonium Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=O)C1=CC=C(C=C1)Cl)C(=O)[N+](CCO)(CCO)C2=CC=CC=C2

Isomeric SMILES

CNC(C(=O)C1=CC=C(C=C1)Cl)C(=O)[N+](CCO)(CCO)C2=CC=CC=C2

InChI

InChI=1S/C20H24ClN2O4/c1-22-18(19(26)15-7-9-16(21)10-8-15)20(27)23(11-13-24,12-14-25)17-5-3-2-4-6-17/h2-10,18,22,24-25H,11-14H2,1H3/q+1