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

Systemtic Name: (3R)-3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (3R)-3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (3R)-3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC(=O)N2CC[NH2+]CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)O)[C@H](CC(=O)N2CC[NH2+]CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-15-7-8-19(23)18(13-15)17(16-5-3-2-4-6-16)14-20(24)22-11-9-21-10-12-22/h2-8,13,17,21,23H,9-12,14H2,1H3/p+1/t17-/m1/s1