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

Systemtic Name: 1-[(3R)-2,5-bis(oxidanylidene)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3R)-2,5-dioxo-1-(2-thienylmethyl)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3R)-2,5-dioxo-1-(thiophen-2-ylmethyl)-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3R)-2,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3R)-2,5-diketo-1-(2-thenyl)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=CS4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)[C@@H]3CC(=O)N(C3=O)CC4=CC=CS4)C(=O)N

InChI

InChI=1S/C20H28N4O3S/c21-19(27)20(23-8-2-1-3-9-23)6-10-22(11-7-20)16-13-17(25)24(18(16)26)14-15-5-4-12-28-15/h4-5,12,16H,1-3,6-11,13-14H2,(H2,21,27)/p+1/t16-/m1/s1