4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C21H27N2O3S2+ MolecularWeight: 419.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)C3SCCS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)C3SCCS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H26N2O3S2/c1-15-2-7-19(26-15)18(23-8-10-25-11-9-23)14-22-20(24)16-3-5-17(6-4-16)21-27-12-13-28-21/h2-7,18,21H,8-14H2,1H3,(H,22,24)/p+1/t18-/m0/s1