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

Systemtic Name: 3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol dichloride Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]phenol dichloride CAS Name: 3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol dichloride IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]phenol dichloride Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]phenol dichloride Formula: C18H24Cl2N2O MolecularWeight: 355.30196

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)O.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)O.[Cl-].[Cl-]

InChI

InChI=1S/C18H22N2O.2ClH/c21-18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16;;/h1-8,13,21H,9-12,14-15H2;2*1H