4-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(5-bromo-2-hydroxy-3-methoxy-benzyl)piperazin-4-ium-1-carbaldehyde Formula: C13H18BrN2O3+ MolecularWeight: 330.19762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O3/c1-19-12-7-11(14)6-10(13(12)18)8-15-2-4-16(9-17)5-3-15/h6-7,9,18H,2-5,8H2,1H3/p+1