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

Systemtic Name: 4-bromanyl-2-[[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-4-bromo-phenol CAS Name: 4-bromo-2-[[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-4-bromophenol Traditional Name: 2-[[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-4-bromo-phenol Formula: C23H32BrN3O+2 MolecularWeight: 446.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H30BrN3O/c24-21-6-7-23(28)20(16-21)18-26-12-14-27(15-13-26)22-8-10-25(11-9-22)17-19-4-2-1-3-5-19/h1-7,16,22,28H,8-15,17-18H2/p+2