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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(phenylsulfonyl)piperidin-4-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-besyl-4-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)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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