(3S)-3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (3S)-3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (3S)-3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: (3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (3S)-3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-1-piperazin-4-ium-1-yl-propan-1-one Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C[C@@H](C2=CC=CC=C2)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H21BrN2O2/c20-15-6-7-18(23)17(12-15)16(14-4-2-1-3-5-14)13-19(24)22-10-8-21-9-11-22/h1-7,12,16,21,23H,8-11,13H2/p+1/t16-/m0/s1