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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c23-16-17-6-8-18(9-7-17)21(27)26(11-3-10-25-12-14-28-15-13-25)22-24-19-4-1-2-5-20(19)29-22/h1-2,4-9H,3,10-15H2/p+1