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

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-ethyl-isoxazole-5-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-ethyl-5-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3-ethyl-isoxazole-5-carboxamide Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=NOC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-2-15-10-17(24-21-15)18(23)20-16-4-3-9-22(12-16)11-13-5-7-14(19)8-6-13/h5-8,10,16H,2-4,9,11-12H2,1H3,(H,20,23)/p+1/t16-/m0/s1