(3R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(2-methylphenyl)-3-phenyl-propan-1-one

Systemtic Name: (3R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(2-methylphenyl)-3-phenyl-propan-1-one Openeye Name: (3R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(o-tolyl)-3-phenyl-propan-1-one CAS Name: (3R)-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-(2-methylphenyl)-3-phenyl-1-propanone IUPAC Name: (3R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one Traditional Name: (3R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(o-tolyl)-3-phenyl-propan-1-one Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CC[NH+](CC2)CCO)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-18-7-5-6-10-20(18)21(19-8-3-2-4-9-19)17-22(26)24-13-11-23(12-14-24)15-16-25/h2-10,21,25H,11-17H2,1H3/p+1/t21-/m1/s1