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

Systemtic Name: N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-ethyl-1-piperazin-4-iumyl)propyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-4-23-9-11-24(12-10-23)16(3)14-21-20(25)18-13-19(26-22-18)17-7-5-15(2)6-8-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25)/p+1/t16-/m1/s1