[4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: [4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine Openeye Name: (4-benzylpiperazin-1-ium-1-ylidene)methanediamine CAS Name: [4-(phenylmethyl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: (4-benzylpiperazin-1-ium-1-ylidene)methanediamine Traditional Name: [amino-(4-benzylpiperazin-1-ium-1-ylidene)methyl]amine Formula: C12H19N4+ MolecularWeight: 219.30606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CCN1CC2=CC=CC=C2

Isomeric SMILES

C1C[N+](=C(N)N)CCN1CC2=CC=CC=C2

InChI

InChI=1S/C12H18N4/c13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,13,14)/p+1