1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-piperonyl-4-(3-thenyl)piperazin-4-ium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O2S/c1-2-16-17(21-13-20-16)9-14(1)10-18-4-6-19(7-5-18)11-15-3-8-22-12-15/h1-3,8-9,12H,4-7,10-11,13H2/p+1