(2S)-N-(2-chloranyl-5-nitro-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-chloranyl-5-nitro-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C17H19ClN3O3S+ MolecularWeight: 380.86906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C17H18ClN3O3S/c1-11(20-8-2-4-15(20)16-5-3-9-25-16)17(22)19-14-10-12(21(23)24)6-7-13(14)18/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,19,22)/p+1/t11-,15+/m0/s1