4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(3-chlorobenzyl)piperazin-4-ium-1-carbaldehyde Formula: C12H16ClN2O+ MolecularWeight: 239.72124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C=O

InChI

InChI=1S/C12H15ClN2O/c13-12-3-1-2-11(8-12)9-14-4-6-15(10-16)7-5-14/h1-3,8,10H,4-7,9H2/p+1