4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O2S/c1-17-3-8-20-21(15-17)30-23(25-20)27(10-2-9-26-11-13-29-14-12-26)22(28)19-6-4-18(16-24)5-7-19/h3-8,15H,2,9-14H2,1H3/p+1