3-methyl-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3-methyl-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-3-methyl-benzaldehyde CAS Name: 3-methyl-4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 3-methyl-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-3-methyl-benzaldehyde Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)CC(C)C

InChI

InChI=1S/C16H24N2O/c1-13(2)11-17-6-8-18(9-7-17)16-5-4-15(12-19)10-14(16)3/h4-5,10,12-13H,6-9,11H2,1-3H3/p+1