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

Systemtic Name: 2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(3-phenyl-5-isoxazolyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2/c26-21(25-9-5-2-6-10-25)17-24-13-11-23(12-14-24)16-19-15-20(22-27-19)18-7-3-1-4-8-18/h1,3-4,7-8,15H,2,5-6,9-14,16-17H2/p+1