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

Systemtic Name: phenyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[(5-phenylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[(5-phenyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-[(5-phenylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c25-21(18-9-5-2-6-10-18)24-13-11-23(12-14-24)16-19-15-20(26-22-19)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1