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

Systemtic Name: 2-acetamido-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-acetamido-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-acetamido-N-[2-(4-morpholin-4-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-acetamido-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-acetamido-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-11(21)18-16-19-13-3-2-12(10-14(13)24-16)15(22)17-4-5-20-6-8-23-9-7-20/h2-3,10H,4-9H2,1H3,(H,17,22)(H,18,19,21)/p+1