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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c22-17-6-3-5-16(15-17)20(26)25(10-4-9-24-11-13-27-14-12-24)21-23-18-7-1-2-8-19(18)28-21/h1-3,5-8,15H,4,9-14H2/p+1