[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-methyl-(3-thenyl)ammonium Formula: C20H27N3O3S+2 MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O3S/c1-21(11-17-4-9-27-14-17)13-20(24)23-7-5-22(6-8-23)12-16-2-3-18-19(10-16)26-15-25-18/h2-4,9-10,14H,5-8,11-13,15H2,1H3/p+2