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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c28-20(25-22(29)23-15-5-6-17-18(11-15)31-14-30-17)12-26-7-9-27(10-8-26)13-21-24-16-3-1-2-4-19(16)32-21/h1-6,11H,7-10,12-14H2,(H2,23,25,28,29)/p+1