3-[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

Systemtic Name: 3-[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide Openeye Name: 3-[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-[(5-methyl-2-furyl)methyl]propanamide CAS Name: 3-[(3R)-1-(2-adamantyl)-3-piperidin-1-iumyl]-N-[(5-methyl-2-furanyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide Traditional Name: 3-[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]-N-[(5-methyl-2-furyl)methyl]propionamide Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CCC2CCC[NH+](C2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)CC[C@H]2CCC[NH+](C2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H36N2O2/c1-16-4-6-22(28-16)14-25-23(27)7-5-17-3-2-8-26(15-17)24-20-10-18-9-19(12-20)13-21(24)11-18/h4,6,17-21,24H,2-3,5,7-15H2,1H3,(H,25,27)/p+1/t17-,18?,19?,20?,21?,24?/m1/s1