1-(1-butyl-4-phenyl-piperidin-1-ium-1-yl)-3,3-dimethyl-butane-1,2-dione

Systemtic Name: 1-(1-butyl-4-phenyl-piperidin-1-ium-1-yl)-3,3-dimethyl-butane-1,2-dione Openeye Name: 1-(1-butyl-4-phenyl-piperidin-1-ium-1-yl)-3,3-dimethyl-butane-1,2-dione CAS Name: 1-(1-butyl-4-phenyl-1-piperidin-1-iumyl)-3,3-dimethylbutane-1,2-dione IUPAC Name: 1-(1-butyl-4-phenylpiperidin-1-ium-1-yl)-3,3-dimethylbutane-1,2-dione Traditional Name: 1-(1-butyl-4-phenyl-piperidin-1-ium-1-yl)-3,3-dimethyl-butane-1,2-dione Formula: C21H32NO2+ MolecularWeight: 330.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)C2=CC=CC=C2)C(=O)C(=O)C(C)(C)C

Isomeric SMILES

CCCC[N+]1(CCC(CC1)C2=CC=CC=C2)C(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C21H32NO2/c1-5-6-14-22(20(24)19(23)21(2,3)4)15-12-18(13-16-22)17-10-8-7-9-11-17/h7-11,18H,5-6,12-16H2,1-4H3/q+1