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

Systemtic Name: 4-bromanyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-bromo-phenol CAS Name: 4-bromo-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-bromophenol Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-bromo-phenol Formula: C18H22BrN2O+ MolecularWeight: 362.28408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O/c19-17-6-7-18(22)16(12-17)14-21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2/p+1