3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]aniline CAS Name: 3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]aniline IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]aniline Traditional Name: [3-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]amine Formula: C18H24N3+ MolecularWeight: 282.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)N

InChI

InChI=1S/C18H23N3/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15,19H2/p+1