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

Systemtic Name: (3S)-1-(4-morpholin-4-ylphenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-morpholinophenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-dione CAS Name: (3S)-1-[4-(4-morpholinyl)phenyl]-3-[(1R)-2-(1-piperidin-1-iumylidene)cyclohexyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-morpholin-4-ylphenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-morpholinophenyl)-3-[(1R)-2-piperidin-1-ium-1-ylidenecyclohexyl]pyrrolidine-2,5-quinone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2CCCCC2C3CC(=O)N(C3=O)C4=CC=C(C=C4)N5CCOCC5)CC1

Isomeric SMILES

C1CC[N+](=C2CCCC[C@@H]2[C@@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)N5CCOCC5)CC1

InChI

InChI=1S/C25H34N3O3/c29-24-18-22(21-6-2-3-7-23(21)27-12-4-1-5-13-27)25(30)28(24)20-10-8-19(9-11-20)26-14-16-31-17-15-26/h8-11,21-22H,1-7,12-18H2/q+1/t21-,22+/m1/s1