4-bromanyl-2-[[4-(3-phenylpropyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(3-phenylpropyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(3-phenylpropyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C20H27BrN2O+2 MolecularWeight: 391.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H25BrN2O/c21-19-8-9-20(24)18(15-19)16-23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,24H,4,7,10-14,16H2/p+2