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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31N3O3S/c1-19-5-3-7-23(17-19)30(27,28)26-12-4-6-21(18-26)25-15-13-24(14-16-25)20-8-10-22(29-2)11-9-20/h3,5,7-11,17,21H,4,6,12-16,18H2,1-2H3/p+1/t21-/m0/s1