3,5-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3,5-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3,5-dimethyl-benzaldehyde CAS Name: 3,5-dimethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3,5-dimethylbenzaldehyde Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3,5-dimethyl-benzaldehyde Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CC[NH+](CC2)CC3=CC=CC=C3)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CC[NH+](CC2)CC3=CC=CC=C3)C)C=O

InChI

InChI=1S/C20H24N2O/c1-16-12-19(15-23)13-17(2)20(16)22-10-8-21(9-11-22)14-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1