(5R)-2-ethyl-6-phenyl-5-piperidin-1-ium-1-yl-4,5-dihydro-1,2,4-triazin-3-one

Systemtic Name: (5R)-2-ethyl-6-phenyl-5-piperidin-1-ium-1-yl-4,5-dihydro-1,2,4-triazin-3-one Openeye Name: (5R)-2-ethyl-6-phenyl-5-piperidin-1-ium-1-yl-4,5-dihydro-1,2,4-triazin-3-one CAS Name: (5R)-2-ethyl-6-phenyl-5-(1-piperidin-1-iumyl)-4,5-dihydro-1,2,4-triazin-3-one IUPAC Name: (5R)-2-ethyl-6-phenyl-5-piperidin-1-ium-1-yl-4,5-dihydro-1,2,4-triazin-3-one Traditional Name: (5R)-2-ethyl-6-phenyl-5-piperidin-1-ium-1-yl-4,5-dihydro-1,2,4-triazin-3-one Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NC(C(=N1)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CCN1C(=O)N[C@@H](C(=N1)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C16H22N4O/c1-2-20-16(21)17-15(19-11-7-4-8-12-19)14(18-20)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3,(H,17,21)/p+1/t15-/m1/s1