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

Systemtic Name: (3R)-3-(3-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Openeye Name: (3R)-3-(3-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-1-one CAS Name: (3R)-3-(3-chlorophenyl)-1-[4-(2-methoxyethyl)-1-piperazin-4-iumyl]-3-phenyl-1-propanone IUPAC Name: (3R)-3-(3-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-3-phenylpropan-1-one Traditional Name: (3R)-3-(3-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COCC[NH+]1CCN(CC1)C(=O)C[C@H](C2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O2/c1-27-15-14-24-10-12-25(13-11-24)22(26)17-21(18-6-3-2-4-7-18)19-8-5-9-20(23)16-19/h2-9,16,21H,10-15,17H2,1H3/p+1/t21-/m1/s1