2-[(2S)-4-(1,2-oxazol-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,2-oxazol-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-isoxazolylmethyl)-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,2-oxazol-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NOC=C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NOC=C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H27N3O2/c23-13-8-19-16-21(15-18-9-14-24-20-18)11-12-22(19)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,9,14,19,23H,4,7-8,10-13,15-16H2/p+1/t19-/m0/s1