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

Systemtic Name: [4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine sulfate Openeye Name: (4-benzylpiperazin-1-ium-1-ylidene)methanediamine sulfate CAS Name: [4-(phenylmethyl)-1-piperazin-1-iumylidene]methanediamine sulfate IUPAC Name: (4-benzylpiperazin-1-ium-1-ylidene)methanediamine sulfate Traditional Name: [amino-(4-benzylpiperazin-1-ium-1-ylidene)methyl]amine sulfate Formula: C24H38N8O4S MolecularWeight: 534.67472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CCN1CC2=CC=CC=C2.C1C[N+](=C(N)N)CCN1CC2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1C[N+](=C(N)N)CCN1CC2=CC=CC=C2.C1C[N+](=C(N)N)CCN1CC2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C12H18N4.H2O4S/c2*13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11;1-5(2,3)4/h2*1-5H,6-10H2,(H3,13,14);(H2,1,2,3,4)