N-[2-(cyclohexen-1-yl)ethyl]-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]isoxazole-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]isoxazole-3-carboxamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=NOC(=C2)C[NH+]3CCCC(C3)O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=NOC(=C2)C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C18H27N3O3/c22-15-7-4-10-21(12-15)13-16-11-17(20-24-16)18(23)19-9-8-14-5-2-1-3-6-14/h5,11,15,22H,1-4,6-10,12-13H2,(H,19,23)/p+1/t15-/m0/s1