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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O2S/c22-15-16-5-7-17(8-6-16)20(26)25(10-9-24-11-13-27-14-12-24)21-23-18-3-1-2-4-19(18)28-21/h1-8H,9-14H2/p+1