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

Systemtic Name: 3,4-bis(chloranyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3,4-dichloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4-dichloro-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3,4-dichloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3,4-dichloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C17H19Cl2N2O2S+ MolecularWeight: 386.31596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N2O2S/c18-13-4-3-12(10-14(13)19)17(22)20-11-15(16-2-1-9-24-16)21-5-7-23-8-6-21/h1-4,9-10,15H,5-8,11H2,(H,20,22)/p+1/t15-/m0/s1