4-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(4-hydroxy-3,5-dimethyl-benzyl)piperazin-4-ium-1-carbaldehyde Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCN(CC2)C=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCN(CC2)C=O

InChI

InChI=1S/C14H20N2O2/c1-11-7-13(8-12(2)14(11)18)9-15-3-5-16(10-17)6-4-15/h7-8,10,18H,3-6,9H2,1-2H3/p+1