2-methyl-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanal

Systemtic Name: 2-methyl-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanal Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-2-methyl-propanal CAS Name: 2-methyl-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanal IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-2-methylpropanal Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-2-methyl-propionaldehyde Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-15(2,13-18)17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3/p+1