3-[(2S)-azepan-1-ium-2-yl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[(2S)-azepan-1-ium-2-yl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(2S)-azepan-1-ium-2-yl]-5-(2-thienyl)isoxazole CAS Name: 3-[(2S)-2-azepan-1-iumyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(2S)-azepan-1-ium-2-yl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[(2S)-azepan-1-ium-2-yl]-5-(2-thienyl)isoxazole Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)C2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

C1CC[C@H]([NH2+]CC1)C2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C13H16N2OS/c1-2-5-10(14-7-3-1)11-9-12(16-15-11)13-6-4-8-17-13/h4,6,8-10,14H,1-3,5,7H2/p+1/t10-/m0/s1