(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-(4-morpholinosulfonylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-3-[4-(4-morpholinylsulfonyl)phenoxy]-2-propanol IUPAC Name: (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-(4-o-phenetylpiperazin-1-ium-1-yl)propan-2-ol Formula: C25H36N3O6S+ MolecularWeight: 506.63484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)C[C@@H](COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O

InChI

InChI=1S/C25H35N3O6S/c1-2-33-25-6-4-3-5-24(25)27-13-11-26(12-14-27)19-21(29)20-34-22-7-9-23(10-8-22)35(30,31)28-15-17-32-18-16-28/h3-10,21,29H,2,11-20H2,1H3/p+1/t21-/m0/s1