N-(1-benzothiophen-5-ylmethyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1-benzothiophen-5-ylmethyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(benzothiophen-5-ylmethyl)-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(1-benzothiophen-5-ylmethyl)-5-(4-morpholin-4-iumylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-(1-benzothiophen-5-ylmethyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(benzothiophen-5-ylmethyl)-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C18H19N3O3S/c22-18(19-11-13-1-2-17-14(9-13)3-8-25-17)16-10-15(24-20-16)12-21-4-6-23-7-5-21/h1-3,8-10H,4-7,11-12H2,(H,19,22)/p+1