4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(4-benzoxy-3-methoxy-benzyl)piperazin-4-ium-1-carbaldehyde Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3/c1-24-20-13-18(14-21-9-11-22(16-23)12-10-21)7-8-19(20)25-15-17-5-3-2-4-6-17/h2-8,13,16H,9-12,14-15H2,1H3/p+1