4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-(o-tolylmethyl)piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(2-methylbenzyl)piperazin-4-ium-1-carbaldehyde Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C=O

InChI

InChI=1S/C13H18N2O/c1-12-4-2-3-5-13(12)10-14-6-8-15(11-16)9-7-14/h2-5,11H,6-10H2,1H3/p+1