4-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

InChI

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