4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde

Systemtic Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde Openeye Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde CAS Name: 4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]benzaldehyde IUPAC Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde Traditional Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde Formula: C13H20N2O+2 MolecularWeight: 220.3107

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C=O

InChI

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