N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide

Systemtic Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide Openeye Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide CAS Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[3-(4-morpholin-4-iumyl)propyl]oxamide IUPAC Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Traditional Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O3S/c27-20(23-10-3-11-26-12-14-29-15-13-26)21(28)24-17-8-6-16(7-9-17)22-25-18-4-1-2-5-19(18)30-22/h1-2,4-9H,3,10-15H2,(H,23,27)(H,24,28)/p+1