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

Systemtic Name: 4-bromanyl-2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(4-ethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-ethoxybenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

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