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

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-(1,2-oxazol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-isoxazolylmethyl)-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-(1,2-oxazol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C16H29N4O2+ MolecularWeight: 309.42706

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=NOC=C3

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=NOC=C3

InChI

InChI=1S/C16H28N4O2/c1-18-6-2-15(3-7-18)20-9-8-19(13-16(20)4-10-21)12-14-5-11-22-17-14/h5,11,15-16,21H,2-4,6-10,12-13H2,1H3/p+1/t16-/m0/s1