(2R)-1-(azepan-1-ium-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-[(2,5-dimethoxyphenyl)methoxy]-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-(2,5-dimethoxybenzyl)oxy-propan-2-ol Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/c1-21-17-7-8-18(22-2)15(11-17)13-23-14-16(20)12-19-9-5-3-4-6-10-19/h7-8,11,16,20H,3-6,9-10,12-14H2,1-2H3/p+1/t16-/m1/s1