4-[(1R,2S)-1-(4-methylphenyl)-2-phenyl-2-(phenylsulfonyl)ethyl]morpholin-4-ium

Systemtic Name: 4-[(1R,2S)-1-(4-methylphenyl)-2-phenyl-2-(phenylsulfonyl)ethyl]morpholin-4-ium Openeye Name: 4-[(1R,2S)-2-(benzenesulfonyl)-2-phenyl-1-(p-tolyl)ethyl]morpholin-4-ium CAS Name: 4-[(1R,2S)-2-(benzenesulfonyl)-1-(4-methylphenyl)-2-phenylethyl]morpholin-4-ium IUPAC Name: 4-[(1R,2S)-2-(benzenesulfonyl)-1-(4-methylphenyl)-2-phenylethyl]morpholin-4-ium Traditional Name: 4-[(1R,2S)-2-besyl-2-phenyl-1-(p-tolyl)ethyl]morpholin-4-ium Formula: C25H28NO3S+ MolecularWeight: 422.55972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C25H27NO3S/c1-20-12-14-21(15-13-20)24(26-16-18-29-19-17-26)25(22-8-4-2-5-9-22)30(27,28)23-10-6-3-7-11-23/h2-15,24-25H,16-19H2,1H3/p+1/t24-,25+/m1/s1