4-(1,3-dithiolan-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C22H27N2O2S2+ MolecularWeight: 415.59198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H26N2O2S2/c25-21(17-5-7-18(8-6-17)22-27-13-14-28-22)23-15-19-3-1-2-4-20(19)16-24-9-11-26-12-10-24/h1-8,22H,9-16H2,(H,23,25)/p+1