1-[bis(4-chlorophenyl)methoxy]-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-[bis(4-chlorophenyl)methoxy]-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propan-2-ol iodide Openeye Name: 1-[bis(4-chlorophenyl)methoxy]-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propan-2-ol iodide CAS Name: 1-[bis(4-chlorophenyl)methoxy]-3-(1-methyl-4-phenyl-1-piperazin-1-iumyl)-2-propanol iodide IUPAC Name: 1-[bis(4-chlorophenyl)methoxy]-3-(1-methyl-4-phenylpiperazin-1-ium-1-yl)propan-2-ol iodide Traditional Name: 1-[bis(4-chlorophenyl)methoxy]-3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propan-2-ol iodide Formula: C27H31Cl2IN2O2 MolecularWeight: 613.35771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC=C2)CC(COC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC=C2)CC(COC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O.[I-]

InChI

InChI=1S/C27H31Cl2N2O2.HI/c1-31(17-15-30(16-18-31)25-5-3-2-4-6-25)19-26(32)20-33-27(21-7-11-23(28)12-8-21)22-9-13-24(29)14-10-22;/h2-14,26-27,32H,15-20H2,1H3;1H/q+1;/p-1