1-phenyl-6-(3-phenylpyrrolidin-1-ium-1-yl)hexan-1-one chloride

Systemtic Name: 1-phenyl-6-(3-phenylpyrrolidin-1-ium-1-yl)hexan-1-one chloride Openeye Name: 1-phenyl-6-(3-phenylpyrrolidin-1-ium-1-yl)hexan-1-one chloride CAS Name: 1-phenyl-6-(3-phenyl-1-pyrrolidin-1-iumyl)-1-hexanone chloride IUPAC Name: 1-phenyl-6-(3-phenylpyrrolidin-1-ium-1-yl)hexan-1-one chloride Traditional Name: 1-phenyl-6-(3-phenylpyrrolidin-1-ium-1-yl)hexan-1-one chloride Formula: C22H28ClNO MolecularWeight: 357.91682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC=CC=C2)CCCCCC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[NH+](CC1C2=CC=CC=C2)CCCCCC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27NO.ClH/c24-22(20-12-6-2-7-13-20)14-8-3-9-16-23-17-15-21(18-23)19-10-4-1-5-11-19;/h1-2,4-7,10-13,21H,3,8-9,14-18H2;1H