1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-morpholin-4-ium-4-yl-ethanone Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H27N3O4S/c1-15-3-4-16(2)17(13-15)26(23,24)21-7-5-20(6-8-21)18(22)14-19-9-11-25-12-10-19/h3-4,13H,5-12,14H2,1-2H3/p+1