3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O3S/c1-16-4-2-7-19-20(16)24-22(28-19)29-15-17-5-3-6-18(14-17)21(26)23-8-9-25-10-12-27-13-11-25/h2-7,14H,8-13,15H2,1H3,(H,23,26)/p+1