4-bromanyl-2-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-isopropylpiperazin-4-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-isopropylpiperazin-4-ium-1-yl)methyl]phenol Formula: C14H22BrN2O+ MolecularWeight: 314.24128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H21BrN2O/c1-11(2)17-7-5-16(6-8-17)10-12-9-13(15)3-4-14(12)18/h3-4,9,11,18H,5-8,10H2,1-2H3/p+1