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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(4-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=NC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-28-21-7-6-20(22(14-21)29-2)15-25-23(27)8-5-18-4-3-13-26(16-18)17-19-9-11-24-12-10-19/h6-7,9-12,14,18H,3-5,8,13,15-17H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1