(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [(3S)-1-(benzenesulfonyl)-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(benzenesulfonyl)-3-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-(benzenesulfonyl)piperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-besyl-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O3S/c1-2-19-11-13-20(14-12-19)18(22)16-7-6-10-21(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3/p+1/t16-/m0/s1