4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzaldehyde Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2/p+1