N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenoxy-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenoxy-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenoxy-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenoxyacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenoxyacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenoxy-acetamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-21(17-28-18-7-2-1-3-8-18)25(12-6-11-24-13-15-27-16-14-24)22-23-19-9-4-5-10-20(19)29-22/h1-5,7-10H,6,11-17H2/p+1