1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloranylthiophen-2-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloranylthiophen-2-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-2-thiophenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-piperonyl-piperazin-4-ium Formula: C16H18ClN2O4S2+ MolecularWeight: 401.90812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C16H17ClN2O4S2/c17-15-3-4-16(24-15)25(20,21)19-7-5-18(6-8-19)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2/p+1