4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H23N4O2S+ MolecularWeight: 407.50862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-16-3-2-4-19-20(16)24-22(29-19)26(10-9-25-11-13-28-14-12-25)21(27)18-7-5-17(15-23)6-8-18/h2-8H,9-14H2,1H3/p+1