3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanyl-benzaldehyde

Systemtic Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanyl-benzaldehyde Openeye Name: 4-hydroxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde CAS Name: 4-hydroxy-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]benzaldehyde IUPAC Name: 4-hydroxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde Traditional Name: 4-hydroxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzaldehyde Formula: C13H20N2O2+2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-14-4-6-15(7-5-14)9-12-8-11(10-16)2-3-13(12)17/h2-3,8,10,17H,4-7,9H2,1H3/p+2