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

Systemtic Name: 4-chloranyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H18ClN3O4S/c18-13-4-3-12(10-14(13)21(23)24)17(22)19-11-15(16-2-1-9-26-16)20-5-7-25-8-6-20/h1-4,9-10,15H,5-8,11H2,(H,19,22)/p+1/t15-/m0/s1