5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-ethyl-1-piperazin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]isoxazole-3-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C)CNC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H30N4O2/c1-5-24-8-10-25(11-9-24)17(4)14-22-21(26)19-13-20(27-23-19)18-7-6-15(2)16(3)12-18/h6-7,12-13,17H,5,8-11,14H2,1-4H3,(H,22,26)/p+1/t17-/m1/s1