2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidino]ethanone Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H35N3O3S/c1-18-6-5-11-24(16-18)21(26)17-23-12-14-25(15-13-23)29(27,28)20-9-7-19(8-10-20)22(2,3)4/h7-10,18H,5-6,11-17H2,1-4H3/p+1/t18-/m0/s1