N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-ethyl-N-piperonyl-acetamide Formula: C20H25ClN3O5S2+ MolecularWeight: 487.0126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H24ClN3O5S2/c1-2-23(12-15-3-4-16-17(11-15)29-14-28-16)19(25)13-22-7-9-24(10-8-22)31(26,27)20-6-5-18(21)30-20/h3-6,11H,2,7-10,12-14H2,1H3/p+1