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

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-phenylethyl]-5-(4-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-3-28-13-15-29(16-14-28)23(19-7-5-4-6-8-19)18-26-25(30)22-17-24(32-27-22)20-9-11-21(31-2)12-10-20/h4-12,17,23H,3,13-16,18H2,1-2H3,(H,26,30)/p+1/t23-/m1/s1