2-[4-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(4-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(4-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C22H33N4O5S+ MolecularWeight: 465.58622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H32N4O5S/c27-21(24-8-2-1-3-9-24)18-23-10-12-25(13-11-23)22(28)19-4-6-20(7-5-19)32(29,30)26-14-16-31-17-15-26/h4-7H,1-3,8-18H2/p+1