1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium Formula: C19H31FN3O3S+ MolecularWeight: 400.531143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C19H30FN3O3S/c1-15-10-16(2)13-23(12-15)27(24,25)22-8-6-21(7-9-22)14-17-4-5-19(26-3)18(20)11-17/h4-5,11,15-16H,6-10,12-14H2,1-3H3/p+1/t15-,16-/m0/s1