2-[(R)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-(4-methylphenyl)methyl]phenol

Systemtic Name: 2-[(R)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-(4-methylphenyl)methyl]phenol Openeye Name: 2-[(R)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-(p-tolyl)methyl]phenol CAS Name: 2-[(R)-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-(4-methylphenyl)methyl]phenol IUPAC Name: 2-[(R)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-(4-methylphenyl)methyl]phenol Traditional Name: 2-[(R)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-(p-tolyl)methyl]phenol Formula: C25H29N2O4S+ MolecularWeight: 453.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N2O4S/c1-19-7-9-20(10-8-19)25(23-5-3-4-6-24(23)28)26-15-17-27(18-16-26)32(29,30)22-13-11-21(31-2)12-14-22/h3-14,25,28H,15-18H2,1-2H3/p+1/t25-/m1/s1