N-[(3-methylphenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3-methylphenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(morpholin-4-ium-4-ylmethyl)-N-(m-tolylmethyl)isoxazole-3-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-5-(4-morpholin-4-iumylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(3-methylphenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-methylbenzyl)-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=NOC(=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=NOC(=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C17H21N3O3/c1-13-3-2-4-14(9-13)11-18-17(21)16-10-15(23-19-16)12-20-5-7-22-8-6-20/h2-4,9-10H,5-8,11-12H2,1H3,(H,18,21)/p+1