1-[2-(3-methylphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(3-methylphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-18-6-5-9-20(16-18)25-15-14-21-10-12-22(13-11-21)26(23,24)17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3/p+1