(2,4-dimethoxyphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C20H25N2O3+ MolecularWeight: 341.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C20H24N2O3/c1-24-17-5-6-18(19(12-17)25-2)20(23)16-4-3-11-22(14-16)13-15-7-9-21-10-8-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3/p+1/t16-/m0/s1