(2S)-1-morpholin-4-ium-4-yl-3-[3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-morpholin-4-ium-4-yl-3-[3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-morpholin-4-ium-4-yl-3-[3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(4-morpholin-4-iumyl)-3-[3-[[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-morpholin-4-ium-4-yl-3-[3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-morpholin-4-ium-4-yl-3-[3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Formula: C23H40N3O3+3 MolecularWeight: 406.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC(C[NH+]4CCOCC4)O

Isomeric SMILES

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC[C@H](C[NH+]4CCOCC4)O

InChI

InChI=1S/C23H37N3O3/c27-22(18-25-12-14-28-15-13-25)19-29-23-5-3-4-20(16-23)17-24-10-6-21(7-11-24)26-8-1-2-9-26/h3-5,16,21-22,27H,1-2,6-15,17-19H2/p+3/t22-/m0/s1