N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-1-phenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-1-phenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-1-phenyl-N-(3-pyridylmethyl)cyclopropanecarboxamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-1-phenyl-N-(3-pyridinylmethyl)-1-cyclopropanecarboxamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-1-phenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-1-phenyl-N-(3-pyridylmethyl)cyclopropanecarboxamide Formula: C28H38N3O+ MolecularWeight: 432.62082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)C4(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)C4(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H37N3O/c32-27(28(15-16-28)25-11-3-1-4-12-25)31(20-23-9-7-17-29-19-23)22-24-10-8-18-30(21-24)26-13-5-2-6-14-26/h1,3-4,7,9,11-12,17,19,24,26H,2,5-6,8,10,13-16,18,20-22H2/p+1/t24-/m0/s1