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

Systemtic Name: 1-[(3-methylquinoxalin-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(3-methylquinoxalin-2-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(3-methyl-2-quinoxalinyl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(3-methylquinoxalin-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(3-methylquinoxalin-2-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC(CC3)(CC4=CC(=NO4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC(CC3)(CC4=CC(=NO4)C5=CC=CC=C5)O

InChI

InChI=1S/C25H26N4O2/c1-18-24(27-22-10-6-5-9-21(22)26-18)17-29-13-11-25(30,12-14-29)16-20-15-23(28-31-20)19-7-3-2-4-8-19/h2-10,15,30H,11-14,16-17H2,1H3/p+1