N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5S4

InChI

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