1-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(2-fluorophenyl)sulfonyl-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(2-fluorophenyl)sulfonyl-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(2-fluorophenyl)sulfonyl-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H28FN3O3S/c1-29-21-10-4-3-9-20(21)25-15-13-24(14-16-25)18-7-6-12-26(17-18)30(27,28)22-11-5-2-8-19(22)23/h2-5,8-11,18H,6-7,12-17H2,1H3/p+1/t18-/m0/s1