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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-phthalimido-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S/c25-19(9-12-24-20(26)15-6-1-2-7-16(15)21(24)27)22-14-17(18-8-5-13-28-18)23-10-3-4-11-23/h1-2,5-8,13,17H,3-4,9-12,14H2,(H,22,25)/p+1/t17-/m1/s1