2-morpholin-4-ium-4-yl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-morpholin-4-ium-4-yl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-morpholin-4-ium-4-yl-ethanone CAS Name: 2-(4-morpholin-4-iumyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-morpholin-4-ium-4-yl-ethanone Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O4S/c21-17(14-18-10-12-24-13-11-18)19-6-8-20(9-7-19)25(22,23)15-16-4-2-1-3-5-16/h1-5H,6-15H2/p+1