[5-(phenoxymethyl)-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(phenoxymethyl)-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(phenoxymethyl)isoxazol-3-yl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(phenoxymethyl)-3-isoxazolyl]-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(phenoxymethyl)-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(phenoxymethyl)isoxazol-3-yl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=NOC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=NOC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c26-21(20-14-19(28-23-20)16-27-18-7-2-1-3-8-18)25-12-10-24(11-13-25)15-17-6-4-5-9-22-17/h1-9,14H,10-13,15-16H2/p+1