5-(4-methylphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methylphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-isopropylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-(4-propan-2-ylphenyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-p-cumenyl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)C(C)C)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)C)[NH+]4CCOCC4

InChI

InChI=1S/C26H31N3O3/c1-18(2)20-8-10-21(11-9-20)24(29-12-14-31-15-13-29)17-27-26(30)23-16-25(32-28-23)22-6-4-19(3)5-7-22/h4-11,16,18,24H,12-15,17H2,1-3H3,(H,27,30)/p+1/t24-/m0/s1