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

Systemtic Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(2-methoxy-5-pyrimidinyl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=NC=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H24N4O3/c1-27-20-22-13-16(14-23-20)15-25-9-7-21(26,8-10-25)12-18-11-19(24-28-18)17-5-3-2-4-6-17/h2-6,11,13-14,26H,7-10,12,15H2,1H3/p+1