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

Systemtic Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[5-(1-azepan-1-iumylmethyl)-2-methoxyphenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-propanol IUPAC Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Formula: C23H41N3O3+2 MolecularWeight: 407.58994

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH+]3CCCCCC3)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+]3CCCCCC3)OC)O

InChI

InChI=1S/C23H39N3O3/c1-24-10-7-13-26(15-14-24)18-21(27)19-29-23-16-20(8-9-22(23)28-2)17-25-11-5-3-4-6-12-25/h8-9,16,21,27H,3-7,10-15,17-19H2,1-2H3/p+2/t21-/m1/s1