1-(4-ethylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride

Systemtic Name: 1-(4-ethylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride Openeye Name: 1-(4-ethylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride CAS Name: 1-(4-ethylphenoxy)-3-(4-phenyl-1-piperazine-1,4-diiumyl)-2-propanol dichloride IUPAC Name: 1-(4-ethylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride Traditional Name: 1-(4-ethylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride Formula: C21H30Cl2N2O2 MolecularWeight: 413.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O.[Cl-].[Cl-]

InChI

InChI=1S/C21H28N2O2.2ClH/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19;;/h3-11,20,24H,2,12-17H2,1H3;2*1H