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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C20H21N3O2S/c1-14-21-18-7-6-17(12-19(18)26-14)22-20(24)16-4-2-15(3-5-16)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)/p+1