N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C26H25N3O2S/c1-18-2-11-23-24(16-18)32-26(28-23)21-7-9-22(10-8-21)27-25(30)20-5-3-19(4-6-20)17-29-12-14-31-15-13-29/h2-11,16H,12-15,17H2,1H3,(H,27,30)/p+1