2,2-dimethyl-5-[(1S,5S)-3-methyl-2-oxidanylidene-5-(4-phenylpiperazin-1-ium-1-yl)cyclopent-3-en-1-yl]-6-oxidanyl-1,3-dioxin-4-one

Systemtic Name: 2,2-dimethyl-5-[(1S,5S)-3-methyl-2-oxidanylidene-5-(4-phenylpiperazin-1-ium-1-yl)cyclopent-3-en-1-yl]-6-oxidanyl-1,3-dioxin-4-one Openeye Name: 6-hydroxy-2,2-dimethyl-5-[(1S,5S)-3-methyl-2-oxo-5-(4-phenylpiperazin-1-ium-1-yl)cyclopent-3-en-1-yl]-1,3-dioxin-4-one CAS Name: 6-hydroxy-2,2-dimethyl-5-[(1S,5S)-3-methyl-2-oxo-5-(4-phenyl-1-piperazin-1-iumyl)-1-cyclopent-3-enyl]-1,3-dioxin-4-one IUPAC Name: 6-hydroxy-2,2-dimethyl-5-[(1S,5S)-3-methyl-2-oxo-5-(4-phenylpiperazin-1-ium-1-yl)cyclopent-3-en-1-yl]-1,3-dioxin-4-one Traditional Name: 6-hydroxy-5-[(1S,5S)-2-keto-3-methyl-5-(4-phenylpiperazin-1-ium-1-yl)cyclopent-3-en-1-yl]-2,2-dimethyl-1,3-dioxin-4-one Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C1=O)C2=C(OC(OC2=O)(C)C)O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[C@@H]([C@@H](C1=O)C2=C(OC(OC2=O)(C)C)O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O5/c1-14-13-16(24-11-9-23(10-12-24)15-7-5-4-6-8-15)17(19(14)25)18-20(26)28-22(2,3)29-21(18)27/h4-8,13,16-17,26H,9-12H2,1-3H3/p+1/t16-,17+/m0/s1