1-[(3R)-1-(3-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(3R)-1-(3-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3R)-1-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3R)-1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3R)-1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3R)-1-(3-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H28FN4O3+ MolecularWeight: 403.470423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)[C@@H]3CC(=O)N(C3=O)C4=CC(=CC=C4)F)C(=O)N

InChI

InChI=1S/C21H27FN4O3/c22-15-5-4-6-16(13-15)26-18(27)14-17(19(26)28)24-11-7-21(8-12-24,20(23)29)25-9-2-1-3-10-25/h4-6,13,17H,1-3,7-12,14H2,(H2,23,29)/p+1/t17-/m1/s1