2-[4-(3-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3-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(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

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

InChI

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