(2R)-1-[5-(azocan-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-(azocan-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-(azocan-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-azocan-1-iumylmethyl)-2-methoxyphenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-propanol IUPAC Name: (2R)-1-[5-(azocan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[5-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Formula: C24H43N3O3+2 MolecularWeight: 421.61652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH+]3CCCCCCC3)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+]3CCCCCCC3)OC)O

InChI

InChI=1S/C24H41N3O3/c1-25-11-8-14-27(16-15-25)19-22(28)20-30-24-17-21(9-10-23(24)29-2)18-26-12-6-4-3-5-7-13-26/h9-10,17,22,28H,3-8,11-16,18-20H2,1-2H3/p+2/t22-/m1/s1