4-chloranyl-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-chloro-3-nitro-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C17H19ClN3O3S+ MolecularWeight: 380.86906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H18ClN3O3S/c18-13-6-5-12(10-14(13)21(23)24)17(22)19-11-15(16-4-3-9-25-16)20-7-1-2-8-20/h3-6,9-10,15H,1-2,7-8,11H2,(H,19,22)/p+1/t15-/m0/s1