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

Systemtic Name: (3R)-3-(3,4-dimethyl-2-oxidanyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (3R)-3-(2-hydroxy-3,4-dimethyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (3R)-3-(2-hydroxy-3,4-dimethyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-15-8-9-18(21(25)16(15)2)19(17-6-4-3-5-7-17)14-20(24)23-12-10-22-11-13-23/h3-9,19,22,25H,10-14H2,1-2H3/p+1/t19-/m1/s1