(3R)-3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (3R)-3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (3R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propan-1-one CAS Name: (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (3R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropan-1-one Traditional Name: (3R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propan-1-one Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)O)[C@H](CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-21-12-13-26(30)25(18-21)24(23-10-6-3-7-11-23)19-27(31)29-16-14-28(15-17-29)20-22-8-4-2-5-9-22/h2-13,18,24,30H,14-17,19-20H2,1H3/p+1/t24-/m1/s1