N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-tetralin-6-yl-isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-tetralin-6-yl-isoxazole-3-carboxamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC4=C(CCCC4)C=C3)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC4=C(CCCC4)C=C3)C5=CC=CS5

InChI

InChI=1S/C25H29N3O2S/c29-25(26-17-22(24-9-6-14-31-24)28-12-4-1-5-13-28)21-16-23(30-27-21)20-11-10-18-7-2-3-8-19(18)15-20/h6,9-11,14-16,22H,1-5,7-8,12-13,17H2,(H,26,29)/p+1/t22-/m0/s1