(2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-(1-pyrrolidin-1-iumylmethyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH+]3CCCC3)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+]3CCCC3)OC)O

InChI

InChI=1S/C21H35N3O3/c1-22-8-5-11-24(13-12-22)16-19(25)17-27-21-14-18(6-7-20(21)26-2)15-23-9-3-4-10-23/h6-7,14,19,25H,3-5,8-13,15-17H2,1-2H3/p+2/t19-/m1/s1