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

Systemtic Name: 3-[(3R)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-[(3-acetylphenyl)methyl]-3-piperidin-1-iumyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-(3-acetylbenzyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C25H32N2O3/c1-18-14-23(30-3)10-11-24(18)26-25(29)12-9-20-7-5-13-27(16-20)17-21-6-4-8-22(15-21)19(2)28/h4,6,8,10-11,14-15,20H,5,7,9,12-13,16-17H2,1-3H3,(H,26,29)/p+1/t20-/m1/s1