N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C21H30N3O2S2+ MolecularWeight: 420.6118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC(C(C)C)[NH+]3CCOCC3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O2S2/c1-15(2)20(24-8-10-26-11-9-24)12-22-21(25)17-4-6-19(7-5-17)28-14-18-13-27-16(3)23-18/h4-7,13,15,20H,8-12,14H2,1-3H3,(H,22,25)/p+1/t20-/m0/s1