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

Systemtic Name: 1-[(3S)-1-(3-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(3-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C21H29FN4O3+2 MolecularWeight: 404.478363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](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+2/t17-/m0/s1