(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(phenethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(phenethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(phenethylamino)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-[3-[(phenethylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(phenethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-[3-[(phenethylamino)methyl]phenoxy]propan-2-ol Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCC3=CC=CC=C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCC3=CC=CC=C3)O

InChI

InChI=1S/C24H35N3O2/c1-2-26-13-15-27(16-14-26)19-23(28)20-29-24-10-6-9-22(17-24)18-25-12-11-21-7-4-3-5-8-21/h3-10,17,23,25,28H,2,11-16,18-20H2,1H3/p+1/t23-/m0/s1