(6R)-4-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one

Systemtic Name: (6R)-4-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Openeye Name: (6R)-4-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one CAS Name: (6R)-4-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-(3-methoxyphenyl)-6-methyl-2-piperazin-4-iumone IUPAC Name: (6R)-4-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-(3-methoxyphenyl)-6-methylpiperazin-4-ium-2-one Traditional Name: (6R)-4-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)C(C)CCC3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)[C@@H](C)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C22H28N2O3/c1-16(7-8-18-9-11-20(25)12-10-18)23-14-17(2)24(22(26)15-23)19-5-4-6-21(13-19)27-3/h4-6,9-13,16-17,25H,7-8,14-15H2,1-3H3/p+1/t16-,17+/m0/s1