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

Systemtic Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1-pyrrolidin-1-iumyl)ethyl]-N-(2-thiazolylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(thiazol-2-ylmethyl)-piperonylamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O3S/c22-18(14-3-4-15-16(11-14)24-13-23-15)21(12-17-19-5-10-25-17)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,12-13H2/p+1