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

Systemtic Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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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=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-24-9-11-25(12-10-24)18(20-8-5-13-28-20)15-22-21(26)17-14-19(27-23-17)16-6-3-2-4-7-16/h2-8,13-14,18H,9-12,15H2,1H3,(H,22,26)/p+1/t18-/m1/s1