4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]butanamide Traditional Name: 4-phthalimido-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]butyramide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O3S/c26-20(23-15-18(19-9-6-14-29-19)24-11-3-4-12-24)10-5-13-25-21(27)16-7-1-2-8-17(16)22(25)28/h1-2,6-9,14,18H,3-5,10-13,15H2,(H,23,26)/p+1/t18-/m1/s1