N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C25H25N6O4+ MolecularWeight: 473.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O4/c1-17-2-4-18(5-3-17)21-14-25(35-28-21)27-24(32)16-29-10-12-30(13-11-29)22-6-7-23(31(33)34)20-15-26-9-8-19(20)22/h2-9,14-15H,10-13,16H2,1H3,(H,27,32)/p+1