4-(1,3-dithiolan-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C20H25N2O2S3+ MolecularWeight: 421.6197

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CS4

InChI

InChI=1S/C20H24N2O2S3/c23-19(15-3-5-16(6-4-15)20-26-12-13-27-20)21-14-17(18-2-1-11-25-18)22-7-9-24-10-8-22/h1-6,11,17,20H,7-10,12-14H2,(H,21,23)/p+1/t17-/m0/s1