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

Systemtic Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[5-(1-azepan-1-iumylmethyl)-2-methoxyphenoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C22H39N3O3+2 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C[NH+]3CCCCCC3)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+]3CCCCCC3)OC)O

InChI

InChI=1S/C22H37N3O3/c1-23-11-13-25(14-12-23)17-20(26)18-28-22-15-19(7-8-21(22)27-2)16-24-9-5-3-4-6-10-24/h7-8,15,20,26H,3-6,9-14,16-18H2,1-2H3/p+2/t20-/m1/s1