3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide

Systemtic Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=NC=CN3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=NC=CN3

InChI

InChI=1S/C20H28N4O2/c1-15-12-17(26-2)6-7-18(15)23-20(25)8-5-16-4-3-11-24(13-16)14-19-21-9-10-22-19/h6-7,9-10,12,16H,3-5,8,11,13-14H2,1-2H3,(H,21,22)(H,23,25)/p+1/t16-/m1/s1