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

Systemtic Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]isoxazole-3-carboxamide CAS Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-4-24-10-12-25(13-11-24)16(3)15-22-21(26)19-14-20(28-23-19)17-6-8-18(9-7-17)27-5-2/h6-9,14,16H,4-5,10-13,15H2,1-3H3,(H,22,26)/p+1/t16-/m0/s1