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

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O2/c1-27-11-13-28(14-12-27)21(17-7-9-19(24)10-8-17)16-25-23(29)20-15-22(30-26-20)18-5-3-2-4-6-18/h2-10,15,21H,11-14,16H2,1H3,(H,25,29)/p+1/t21-/m1/s1