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

Systemtic Name: 1-(3-methyl-4-propan-2-yl-phenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride Openeye Name: 1-(4-isopropyl-3-methyl-phenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride CAS Name: 1-(3-methyl-4-propan-2-ylphenoxy)-3-(4-phenyl-1-piperazine-1,4-diiumyl)-2-propanol dichloride IUPAC Name: 1-(3-methyl-4-propan-2-ylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride Traditional Name: 1-(4-isopropyl-3-methyl-phenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol dichloride Formula: C23H34Cl2N2O2 MolecularWeight: 441.43426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O)C(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O)C(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C23H32N2O2.2ClH/c1-18(2)23-10-9-22(15-19(23)3)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20;;/h4-10,15,18,21,26H,11-14,16-17H2,1-3H3;2*1H