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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-phenylisoxazol-3-yl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-phenyl-3-isoxazolyl)-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-phenylisoxazol-3-yl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-21(19-16-20(27-23-19)18-4-2-1-3-5-18)25-14-12-24(13-15-25)11-8-17-6-9-22-10-7-17/h1-7,9-10,16H,8,11-15H2/p+1