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

Systemtic Name: N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-methyl-N-[4-(4-morpholin-4-iumyl)butyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-27(13-5-6-14-28-15-17-30-18-16-28)25(29)21-10-11-23-22(19-21)26-24(31-23)12-9-20-7-3-2-4-8-20/h2-4,7-8,10-11,19H,5-6,9,12-18H2,1H3/p+1