N-[4-[(3S)-2,5-bis(oxidanylidene)-3-thiomorpholin-4-ium-4-yl-pyrrolidin-1-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3S)-2,5-bis(oxidanylidene)-3-thiomorpholin-4-ium-4-yl-pyrrolidin-1-yl]phenyl]ethanamide Openeye Name: N-[4-[(3S)-2,5-dioxo-3-thiomorpholin-4-ium-4-yl-pyrrolidin-1-yl]phenyl]acetamide CAS Name: N-[4-[(3S)-2,5-dioxo-3-(4-thiomorpholin-4-iumyl)-1-pyrrolidinyl]phenyl]acetamide IUPAC Name: N-[4-[(3S)-2,5-dioxo-3-thiomorpholin-4-ium-4-ylpyrrolidin-1-yl]phenyl]acetamide Traditional Name: N-[4-[(3S)-2,5-diketo-3-thiomorpholin-4-ium-4-yl-pyrrolidino]phenyl]acetamide Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCSCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCSCC3

InChI

InChI=1S/C16H19N3O3S/c1-11(20)17-12-2-4-13(5-3-12)19-15(21)10-14(16(19)22)18-6-8-23-9-7-18/h2-5,14H,6-10H2,1H3,(H,17,20)/p+1/t14-/m0/s1