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

Systemtic Name: 1-[(E)-2-methylbut-2-enyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(E)-2-methylbut-2-enyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(E)-2-methylbut-2-enyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(E)-2-methylbut-2-enyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(E)-2-methylbut-2-enyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)(CC2=CC(=NO2)C3=CC=CC=C3)O

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)(CC2=CC(=NO2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H26N2O2/c1-3-16(2)15-22-11-9-20(23,10-12-22)14-18-13-19(21-24-18)17-7-5-4-6-8-17/h3-8,13,23H,9-12,14-15H2,1-2H3/p+1/b16-3+