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

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1,2-oxazol-5-yl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-isoxazol-5-yl-methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(5-isoxazolyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1,2-oxazol-5-yl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-isoxazol-5-yl-methanone Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=NO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=NO3

InChI

InChI=1S/C17H21N3O4/c1-22-14-3-4-15(23-2)13(11-14)12-19-7-9-20(10-8-19)17(21)16-5-6-18-24-16/h3-6,11H,7-10,12H2,1-2H3/p+1