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

Systemtic Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide Openeye Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide CAS Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[2-(4-morpholin-4-iumyl)ethyl]oxamide IUPAC Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide Traditional Name: N'-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c26-19(22-9-10-25-11-13-28-14-12-25)20(27)23-16-7-5-15(6-8-16)21-24-17-3-1-2-4-18(17)29-21/h1-8H,9-14H2,(H,22,26)(H,23,27)/p+1