4-bromanyl-2-[(4-cyclopentylpiperazine-1,4-diium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-cyclopentylpiperazine-1,4-diium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-cyclopentylpiperazine-1,4-diium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-cyclopentyl-1-piperazine-1,4-diiumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-cyclopentylpiperazine-1,4-diium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-cyclopentylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C16H25BrN2O+2 MolecularWeight: 341.2865

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CCC(C1)[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C16H23BrN2O/c17-14-5-6-16(20)13(11-14)12-18-7-9-19(10-8-18)15-3-1-2-4-15/h5-6,11,15,20H,1-4,7-10,12H2/p+2