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

Systemtic Name: [1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-yl]-piperidino-methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O2/c25-21(24-11-5-2-6-12-24)18-9-13-23(14-10-18)16-19-15-20(22-26-19)17-7-3-1-4-8-17/h1,3-4,7-8,15,18H,2,5-6,9-14,16H2/p+1