N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O2S/c1-16-8-9-19-20(17(16)2)23-22(28-19)25(11-10-24-12-14-27-15-13-24)21(26)18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3/p+1