[4-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[3-(4-methoxyphenyl)-5-isoxazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-27-19-9-7-17(8-10-19)21-15-20(28-23-21)16-24-11-13-25(14-12-24)22(26)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1