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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-ethanoyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-acetyl-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-acetyl-N-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-acetyl-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-acetyl-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-17(27)18-7-9-19(10-8-18)22(28)26(12-4-11-25-13-15-29-16-14-25)23-24-20-5-2-3-6-21(20)30-23/h2-3,5-10H,4,11-16H2,1H3/p+1