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

Systemtic Name: (2S)-1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-cyclohexyl-2-(1-pyrrolyl)phenoxy]-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-cyclohexyl-2-pyrrol-1-ylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-cyclohexyl-2-pyrrol-1-yl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C30H40N3O3+ MolecularWeight: 490.6569

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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

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@@H](COC3=C(C=C(C=C3)C4CCCCC4)N5C=CC=C5)O

InChI

InChI=1S/C30H39N3O3/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/p+1/t26-/m0/s1