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

Systemtic Name: 3-[3-methyl-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butyl]phenol dichloride Openeye Name: 3-[1-(4-benzylpiperazine-1,4-diium-1-yl)-3-methyl-butyl]phenol dichloride CAS Name: 3-[3-methyl-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butyl]phenol dichloride IUPAC Name: 3-[1-(4-benzylpiperazine-1,4-diium-1-yl)-3-methylbutyl]phenol dichloride Traditional Name: 3-[1-(4-benzylpiperazine-1,4-diium-1-yl)-3-methyl-butyl]phenol dichloride Formula: C22H32Cl2N2O MolecularWeight: 411.40828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=CC=C1)O)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(C)CC(C1=CC(=CC=C1)O)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C22H30N2O.2ClH/c1-18(2)15-22(20-9-6-10-21(25)16-20)24-13-11-23(12-14-24)17-19-7-4-3-5-8-19;;/h3-10,16,18,22,25H,11-15,17H2,1-2H3;2*1H