1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H19N2O4S2+ MolecularWeight: 367.46306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H18N2O4S2/c19-24(20,16-2-1-9-23-16)18-7-5-17(6-8-18)11-13-3-4-14-15(10-13)22-12-21-14/h1-4,9-10H,5-8,11-12H2/p+1