(2S)-1-[3-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[3-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[3-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]phenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C20H34N2O4+2 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=CC(=CC=C2)OCC(C[NH+]3CCCC3)O)O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](COC2=CC(=CC=C2)OC[C@H](C[NH+]3CCCC3)O)O

InChI

InChI=1S/C20H32N2O4/c23-17(13-21-8-1-2-9-21)15-25-19-6-5-7-20(12-19)26-16-18(24)14-22-10-3-4-11-22/h5-7,12,17-18,23-24H,1-4,8-11,13-16H2/p+2/t17-,18-/m0/s1