(3S)-1-(4-bromophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (3S)-1-(4-bromophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (3S)-1-(4-bromophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (3S)-1-(4-bromophenyl)-3-phenyl-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (3S)-1-(4-bromophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (3S)-1-(4-bromophenyl)-3-phenyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C25H26BrN2O+ MolecularWeight: 450.39074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O/c26-22-13-11-21(12-14-22)25(29)19-24(20-7-3-1-4-8-20)28-17-15-27(16-18-28)23-9-5-2-6-10-23/h1-14,24H,15-19H2/p+1/t24-/m0/s1