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

Systemtic Name: 4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-(m-tolylmethyl)piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-(3-methylbenzyl)piperazin-4-ium-1-carbaldehyde Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C=O

InChI

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