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

Systemtic Name: 4-bromanyl-2-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(4-phenyl-1-piperazin-1-iumyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C22H30BrN3O+2 MolecularWeight: 432.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C22H28BrN3O/c23-19-6-7-22(27)18(16-19)17-24-10-8-21(9-11-24)26-14-12-25(13-15-26)20-4-2-1-3-5-20/h1-7,16,21,27H,8-15,17H2/p+2