3-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]isoxazole IUPAC Name: 3-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]isoxazole Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H26N4O/c1-2-5-18(6-3-1)22-10-12-23(13-11-22)19-7-4-9-21(16-19)15-17-8-14-24-20-17/h1-3,5-6,8,14,19H,4,7,9-13,15-16H2/p+1/t19-/m0/s1