5,5-dimethyl-2-[[2-[4-(2-phenylethanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[2-[4-(2-phenylethanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[2-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[2-[4-(1-oxo-2-phenylethyl)-1-piperazin-1-iumyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[2-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[2-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]ethylamino]methylene]cyclohexane-1,3-quinone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNCC[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNCC[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C23H31N3O3/c1-23(2)15-20(27)19(21(28)16-23)17-24-8-9-25-10-12-26(13-11-25)22(29)14-18-6-4-3-5-7-18/h3-7,17,24H,8-16H2,1-2H3/p+1