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

Systemtic Name: (3R)-3-(3,4-dimethyl-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-3,4-dimethyl-phenyl)-3-phenyl-propan-1-one CAS Name: (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (3R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenylpropan-1-one Traditional Name: (3R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-hydroxy-3,4-dimethyl-phenyl)-3-phenyl-propan-1-one Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O2/c1-21-13-14-25(28(32)22(21)2)26(24-11-7-4-8-12-24)19-27(31)30-17-15-29(16-18-30)20-23-9-5-3-6-10-23/h3-14,26,32H,15-20H2,1-2H3/p+1/t26-/m1/s1