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

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(phenylmethyl)sulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-benzylsulfonyl-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(phenylmethyl)sulfonyl-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-[(3S)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-benzylsulfonyl-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S/c1-29-23-12-6-5-11-22(23)25-16-14-24(15-17-25)21-10-7-13-26(18-21)30(27,28)19-20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-19H2,1H3/p+1/t21-/m0/s1