N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenoxypropanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxypropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propionamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)CCOC4=CC=CC=C4

InChI

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