(3S)-1-(2,4-dichlorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (3S)-1-(2,4-dichlorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (3S)-1-(2,4-dichlorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (3S)-1-(2,4-dichlorophenyl)-3-phenyl-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (3S)-1-(2,4-dichlorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (3S)-1-(2,4-dichlorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C25H25Cl2N2O+ MolecularWeight: 440.3848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24Cl2N2O/c26-20-11-12-22(23(27)17-20)25(30)18-24(19-7-3-1-4-8-19)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17,24H,13-16,18H2/p+1/t24-/m0/s1