N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-cyclopropyl-isoxazole-3-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-5-cyclopropyl-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-5-cyclopropyl-isoxazole-3-carboxamide Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4CC4

InChI

InChI=1S/C19H22ClN3O2/c20-15-7-3-13(4-8-15)11-23-9-1-2-16(12-23)21-19(24)17-10-18(25-22-17)14-5-6-14/h3-4,7-8,10,14,16H,1-2,5-6,9,11-12H2,(H,21,24)/p+1/t16-/m0/s1