(3S)-3-[4-(1-ethanoylpiperidin-4-yl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(1-ethanoylpiperidin-4-yl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1-acetyl-4-piperidyl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1-acetyl-4-piperidinyl)-1-piperidin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1-acetylpiperidin-4-yl)piperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1-acetyl-4-piperidyl)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)C2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3/c1-16(26)23-11-7-17(8-12-23)18-9-13-24(14-10-18)20-15-21(27)25(22(20)28)19-5-3-2-4-6-19/h2-6,17-18,20H,7-15H2,1H3/p+1/t20-/m0/s1