N-(3-morpholin-4-ium-4-ylpropyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c27-23(24-11-4-12-26-13-15-28-16-14-26)19-8-9-21-20(17-19)25-22(29-21)10-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17H,4,7,10-16H2,(H,24,27)/p+1