3-(4-methylpiperazin-4-ium-1-yl)benzaldehyde

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)benzaldehyde IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)benzaldehyde Formula: C12H17N2O+ MolecularWeight: 205.27618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC(=C2)C=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC(=C2)C=O

InChI

InChI=1S/C12H16N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9-10H,5-8H2,1H3/p+1