N-[(2S)-2-(2-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C24H28ClN4O2+ MolecularWeight: 439.95772

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H27ClN4O2/c1-2-28-12-14-29(15-13-28)22(19-10-6-7-11-20(19)25)17-26-24(30)21-16-23(31-27-21)18-8-4-3-5-9-18/h3-11,16,22H,2,12-15,17H2,1H3,(H,26,30)/p+1/t22-/m1/s1