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

Systemtic Name: 3-[1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]phenol dichloride Openeye Name: 3-[1-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]phenol dichloride CAS Name: 3-[1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]phenol dichloride IUPAC Name: 3-[1-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]phenol dichloride Traditional Name: 3-[1-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]phenol dichloride Formula: C19H26Cl2N2O MolecularWeight: 369.32854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O.2ClH/c1-16(18-8-5-9-19(22)14-18)21-12-10-20(11-13-21)15-17-6-3-2-4-7-17;;/h2-9,14,16,22H,10-13,15H2,1H3;2*1H