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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O2S/c1-2-15-5-8-18-19(13-15)27-21(22-18)23-20(25)17-6-3-16(4-7-17)14-24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,23,25)/p+1