3-[(2S)-1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[4-(2,6-dimethoxyphenoxy)butyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium-2-yl]pyridine Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-25-20-11-7-12-21(26-2)22(20)27-16-6-5-15-24-14-4-3-10-19(24)18-9-8-13-23-17-18/h7-9,11-13,17,19H,3-6,10,14-16H2,1-2H3/p+1/t19-/m0/s1