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

Systemtic Name: 4-bromanyl-2-[[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Formula: C17H23BrN3O+ MolecularWeight: 365.28802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H22BrN3O/c1-19-6-2-3-16(19)13-21-9-7-20(8-10-21)12-14-11-15(18)4-5-17(14)22/h2-6,11,22H,7-10,12-13H2,1H3/p+1