1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol chloride

Systemtic Name: 1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol chloride Openeye Name: 1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol chloride CAS Name: 1-[4-cyclohexyl-2-(1-pyrrolyl)phenoxy]-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol chloride IUPAC Name: 1-(4-cyclohexyl-2-pyrrol-1-ylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol chloride Traditional Name: 1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol chloride Formula: C30H40ClN3O3 MolecularWeight: 526.1099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=C(C=C(C=C3)C4CCCCC4)N5C=CC=C5)O.[Cl-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=C(C=C(C=C3)C4CCCCC4)N5C=CC=C5)O.[Cl-]

InChI

InChI=1S/C30H39N3O3.ClH/c1-35-29-12-6-5-11-27(29)33-19-17-31(18-20-33)22-26(34)23-36-30-14-13-25(24-9-3-2-4-10-24)21-28(30)32-15-7-8-16-32;/h5-8,11-16,21,24,26,34H,2-4,9-10,17-20,22-23H2,1H3;1H