(2S,6S)-2,6-dimethyl-1-(4-phenoxyphenyl)piperazin-1-ium

Systemtic Name: (2S,6S)-2,6-dimethyl-1-(4-phenoxyphenyl)piperazin-1-ium Openeye Name: (2S,6S)-2,6-dimethyl-1-(4-phenoxyphenyl)piperazin-1-ium CAS Name: (2S,6S)-2,6-dimethyl-1-(4-phenoxyphenyl)piperazin-1-ium IUPAC Name: (2S,6S)-2,6-dimethyl-1-(4-phenoxyphenyl)piperazin-1-ium Traditional Name: (2S,6S)-2,6-dimethyl-1-(4-phenoxyphenyl)piperazin-1-ium Formula: C18H23N2O+ MolecularWeight: 283.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC([NH+]1C2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CNC[C@@H]([NH+]1C2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C18H22N2O/c1-14-12-19-13-15(2)20(14)16-8-10-18(11-9-16)21-17-6-4-3-5-7-17/h3-11,14-15,19H,12-13H2,1-2H3/p+1/t14-,15-/m0/s1