3-[(2S)-1-[6-(2,6-dimethoxyphenoxy)hexyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[6-(2,6-dimethoxyphenoxy)hexyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[6-(2,6-dimethoxyphenoxy)hexyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[6-(2,6-dimethoxyphenoxy)hexyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[6-(2,6-dimethoxyphenoxy)hexyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[6-(2,6-dimethoxyphenoxy)hexyl]piperidin-1-ium-2-yl]pyridine Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCCCCCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCCCCCC[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C24H34N2O3/c1-27-22-13-9-14-23(28-2)24(22)29-18-8-4-3-6-16-26-17-7-5-12-21(26)20-11-10-15-25-19-20/h9-11,13-15,19,21H,3-8,12,16-18H2,1-2H3/p+1/t21-/m0/s1