3-[phenyl-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol dichloride

Systemtic Name: 3-[phenyl-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol dichloride Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)-phenyl-methyl]phenol dichloride CAS Name: 3-[phenyl-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol dichloride IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)-phenylmethyl]phenol dichloride Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)-phenyl-methyl]phenol dichloride Formula: C24H28Cl2N2O MolecularWeight: 431.39792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-].[Cl-]

InChI

InChI=1S/C24H26N2O.2ClH/c27-23-13-7-12-22(18-23)24(21-10-5-2-6-11-21)26-16-14-25(15-17-26)19-20-8-3-1-4-9-20;;/h1-13,18,24,27H,14-17,19H2;2*1H