3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CS4

InChI

InChI=1S/C20H22ClN3O3S/c21-14-5-6-15-17(12-14)27-20(26)24(15)10-7-19(25)22-13-16(18-4-3-11-28-18)23-8-1-2-9-23/h3-6,11-12,16H,1-2,7-10,13H2,(H,22,25)/p+1/t16-/m0/s1