N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C5=NC=CC=N5

InChI

InChI=1S/C23H25N5O3S/c29-22(17-26-8-10-27(11-9-26)23-24-6-2-7-25-23)28(16-19-3-1-14-32-19)18-4-5-20-21(15-18)31-13-12-30-20/h1-7,14-15H,8-13,16-17H2/p+1