2-bromanyl-6-methoxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)Br)O

InChI

InChI=1S/C18H21BrN2O2/c1-23-17-12-14(11-16(19)18(17)22)13-20-7-9-21(10-8-20)15-5-3-2-4-6-15/h2-6,11-12,22H,7-10,13H2,1H3/p+1