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

Systemtic Name: 4-bromanyl-2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(2-ethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(2-ethoxybenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H25BrN2O2/c1-2-25-20-6-4-3-5-16(20)14-22-9-11-23(12-10-22)15-17-13-18(21)7-8-19(17)24/h3-8,13,24H,2,9-12,14-15H2,1H3/p+2