N-(2-morpholin-4-ium-4-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-N-(thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-N-(2-thiazolylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-N-(thiazol-2-ylmethyl)-piperonylamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O4S/c22-18(14-1-2-15-16(11-14)25-13-24-15)21(12-17-19-3-10-26-17)5-4-20-6-8-23-9-7-20/h1-3,10-11H,4-9,12-13H2/p+1