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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

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