3-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: 3-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 3-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 3-[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3,5-dimethoxyphenyl)propionamide Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCC2CCC[NH+](C2)C3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[C@H]2CCC[NH+](C2)C3CCCCC3)OC

InChI

InChI=1S/C22H34N2O3/c1-26-20-13-18(14-21(15-20)27-2)23-22(25)11-10-17-7-6-12-24(16-17)19-8-4-3-5-9-19/h13-15,17,19H,3-12,16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1