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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-1,3-oxazole-5-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-oxazole-5-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-4-methyl-5-oxazolecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-1,3-oxazole-5-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-oxazole-5-carboxamide Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=N1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC1=C(OC=N1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C17H27N3O2/c1-13-16(22-12-18-13)17(21)19-15-8-5-9-20(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,21)/p+1/t15-/m0/s1