4,4-diphenyl-1-piperidin-1-ium-1-yl-butan-2-one chloride

Systemtic Name: 4,4-diphenyl-1-piperidin-1-ium-1-yl-butan-2-one chloride Openeye Name: 4,4-diphenyl-1-piperidin-1-ium-1-yl-butan-2-one chloride CAS Name: 4,4-diphenyl-1-(1-piperidin-1-iumyl)-2-butanone chloride IUPAC Name: 4,4-diphenyl-1-piperidin-1-ium-1-ylbutan-2-one chloride Traditional Name: 4,4-diphenyl-1-piperidin-1-ium-1-yl-butan-2-one chloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H25NO.ClH/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,21H,3,8-9,14-17H2;1H