1-[(2-ethylpyrimidin-5-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[(2-ethyl-5-pyrimidinyl)methyl]-4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C23H28N4O3/c1-3-22-24-14-17(15-25-22)16-27-9-7-23(28,8-10-27)13-20-12-21(26-30-20)18-5-4-6-19(11-18)29-2/h4-6,11-12,14-15,28H,3,7-10,13,16H2,1-2H3/p+1