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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-ethyl-N-piperonyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-2-26(17-21-8-9-22-23(16-21)32-19-31-22)24(28)18-25-11-13-27(14-12-25)33(29,30)15-10-20-6-4-3-5-7-20/h3-10,15-16H,2,11-14,17-19H2,1H3/p+1/b15-10+