1-(4-methylpiperazin-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H27N3O4S/c1-19-8-10-20(11-9-19)18(22)7-4-16-2-5-17(6-3-16)26(23,24)21-12-14-25-15-13-21/h2-3,5-6H,4,7-15H2,1H3/p+1