(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: (5-cyclopropylisoxazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: (5-cyclopropyl-3-isoxazolyl)-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (5-cyclopropylisoxazol-3-yl)-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NOC(=C2)C3CC3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NOC(=C2)C3CC3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H28N4O2/c27-22(20-15-21(28-23-20)17-8-9-17)26-10-4-7-19(16-26)25-13-11-24(12-14-25)18-5-2-1-3-6-18/h1-3,5-6,15,17,19H,4,7-14,16H2/p+1/t19-/m0/s1