(4-ethylpiperazin-4-ium-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(2S)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(2S)-1-tosyl-2-piperidyl]methanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H29N3O3S/c1-3-20-12-14-21(15-13-20)19(23)18-6-4-5-11-22(18)26(24,25)17-9-7-16(2)8-10-17/h7-10,18H,3-6,11-15H2,1-2H3/p+1/t18-/m0/s1