N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C20H27N4O6S+ MolecularWeight: 451.51658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O6S/c1-14-20(15(2)30-22-14)31(26,27)21-6-5-19(25)24-9-7-23(8-10-24)12-16-3-4-17-18(11-16)29-13-28-17/h3-4,11,21H,5-10,12-13H2,1-2H3/p+1