2-[2,2-diphenylethanoyl(pyridin-3-ylmethyl)amino]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[2,2-diphenylethanoyl(pyridin-3-ylmethyl)amino]ethyl-diethyl-azanium chloride Openeye Name: 2-[(2,2-diphenylacetyl)-(3-pyridylmethyl)amino]ethyl-diethyl-ammonium chloride CAS Name: diethyl-[2-[(1-oxo-2,2-diphenylethyl)-(3-pyridinylmethyl)amino]ethyl]ammonium chloride IUPAC Name: 2-[(2,2-diphenylacetyl)-(pyridin-3-ylmethyl)amino]ethyl-diethylazanium chloride Traditional Name: 2-[(2,2-diphenylacetyl)-(3-pyridylmethyl)amino]ethyl-diethyl-ammonium chloride Formula: C26H32ClN3O MolecularWeight: 438.00478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CN=CC=C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CN=CC=C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C26H31N3O.ClH/c1-3-28(4-2)18-19-29(21-22-12-11-17-27-20-22)26(30)25(23-13-7-5-8-14-23)24-15-9-6-10-16-24;/h5-17,20,25H,3-4,18-19,21H2,1-2H3;1H