4-bromanyl-2-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C20H26BrN2O+ MolecularWeight: 390.33724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(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+1