[2-[[(5S)-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [2-[[(5S)-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]methyl]phenyl]methylazanium Openeye Name: [2-[[(5S)-5-methyl-3-oxo-pyrazolidin-1-yl]methyl]phenyl]methylammonium CAS Name: [2-[[(5S)-5-methyl-3-oxo-1-pyrazolidinyl]methyl]phenyl]methylammonium IUPAC Name: [2-[[(5S)-5-methyl-3-oxopyrazolidin-1-yl]methyl]phenyl]methylazanium Traditional Name: [2-[[(5S)-3-keto-5-methyl-pyrazolidin-1-yl]methyl]benzyl]ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN1CC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[C@H]1CC(=O)NN1CC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C12H17N3O/c1-9-6-12(16)14-15(9)8-11-5-3-2-4-10(11)7-13/h2-5,9H,6-8,13H2,1H3,(H,14,16)/p+1/t9-/m0/s1