N-[[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide

Systemtic Name: N-[[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide Openeye Name: N-[[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]methyl]-1-(4-chlorophenyl)cyclopropanecarboxamide CAS Name: N-[[(3R)-1-(2-adamantyl)-3-piperidin-1-iumyl]methyl]-1-(4-chlorophenyl)-1-cyclopropanecarboxamide IUPAC Name: N-[[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide Traditional Name: N-[[(3R)-1-(2-adamantyl)piperidin-1-ium-3-yl]methyl]-1-(4-chlorophenyl)cyclopropanecarboxamide Formula: C26H36ClN2O+ MolecularWeight: 428.02984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2C3CC4CC(C3)CC2C4)CNC(=O)C5(CC5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2C3CC4CC(C3)CC2C4)CNC(=O)C5(CC5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H35ClN2O/c27-23-5-3-22(4-6-23)26(7-8-26)25(30)28-15-17-2-1-9-29(16-17)24-20-11-18-10-19(13-20)14-21(24)12-18/h3-6,17-21,24H,1-2,7-16H2,(H,28,30)/p+1/t17-,18?,19?,20?,21?,24?/m1/s1