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

Systemtic Name: 1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CCC(CC3)(CC4=CC(=NO4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CCC(CC3)(CC4=CC(=NO4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H28N4O2/c1-20-6-5-9-23(14-20)26-28-17-21(18-29-26)19-31-12-10-27(32,11-13-31)16-24-15-25(30-33-24)22-7-3-2-4-8-22/h2-9,14-15,17-18,32H,10-13,16,19H2,1H3/p+1