N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CN=CN3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CN=CN3)OC

InChI

InChI=1S/C21H30N4O3/c1-27-19-7-6-17(20(10-19)28-2)11-23-21(26)8-5-16-4-3-9-25(13-16)14-18-12-22-15-24-18/h6-7,10,12,15-16H,3-5,8-9,11,13-14H2,1-2H3,(H,22,24)(H,23,26)/p+1/t16-/m1/s1