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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-phthalimido-propionamide Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O4S/c25-19(7-8-24-20(26)15-4-1-2-5-16(15)21(24)27)22-14-17(18-6-3-13-29-18)23-9-11-28-12-10-23/h1-6,13,17H,7-12,14H2,(H,22,25)/p+1/t17-/m1/s1