N-ethyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-acetamide CAS Name: N-ethyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethylacetamide Traditional Name: N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-ethyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-2-24(17-20-9-5-3-6-10-20)22(26)18-23-13-15-25(16-14-23)29(27,28)19-21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3/p+1