N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-N-(2-thiazolylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(thiazol-2-ylmethyl)-piperonylamide Formula: C20H28N4O3S+2 MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O3S/c1-22-8-10-23(11-9-22)6-2-7-24(14-19-21-5-12-28-19)20(25)16-3-4-17-18(13-16)27-15-26-17/h3-5,12-13H,2,6-11,14-15H2,1H3/p+2