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

Systemtic Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(azocan-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(azocan-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[5-(1-azepan-1-iumylmethyl)-2-methoxyphenoxy]-3-(1-azocan-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-3-(azocan-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(azocan-1-ium-1-yl)propan-2-ol Formula: C24H42N2O3+2 MolecularWeight: 406.60188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H40N2O3/c1-28-23-12-11-21(18-25-13-9-5-6-10-14-25)17-24(23)29-20-22(27)19-26-15-7-3-2-4-8-16-26/h11-12,17,22,27H,2-10,13-16,18-20H2,1H3/p+2/t22-/m1/s1