(3S)-1-(4-methylphenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-methylphenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methylphenyl)-3-[(1R)-2-(1-piperidin-1-iumylidene)cyclohexyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methylphenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCCC3=[N+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[C@H]3CCCCC3=[N+]4CCCCC4

InChI

InChI=1S/C22H29N2O2/c1-16-9-11-17(12-10-16)24-21(25)15-19(22(24)26)18-7-3-4-8-20(18)23-13-5-2-6-14-23/h9-12,18-19H,2-8,13-15H2,1H3/q+1/t18-,19+/m1/s1