2-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-acetamido-N-[3-(4-morpholin-4-iumyl)propyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzothiazole-6-carboxamide Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H22N4O3S/c1-12(22)19-17-20-14-4-3-13(11-15(14)25-17)16(23)18-5-2-6-21-7-9-24-10-8-21/h3-4,11H,2,5-10H2,1H3,(H,18,23)(H,19,20,22)/p+1