3-[(2S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(2,4,5-trimethoxyphenyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-2-yl]pyridine Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCCC2C3=CN=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCCC[C@H]2C3=CN=CC=C3)OC)OC

InChI

InChI=1S/C20H26N2O3/c1-23-18-12-20(25-3)19(24-2)11-16(18)14-22-10-5-4-8-17(22)15-7-6-9-21-13-15/h6-7,9,11-13,17H,4-5,8,10,14H2,1-3H3/p+1/t17-/m0/s1