N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CC=CC=N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)OC

InChI

InChI=1S/C23H31N3O3/c1-28-21-10-9-19(22(14-21)29-2)15-25-23(27)11-8-18-6-5-13-26(16-18)17-20-7-3-4-12-24-20/h3-4,7,9-10,12,14,18H,5-6,8,11,13,15-17H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1