[2-[4-[[(5S)-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]methyl]phenyl]phenyl]methylazanium

Systemtic Name: [2-[4-[[(5S)-5-methyl-3-oxidanylidene-pyrazolidin-1-yl]methyl]phenyl]phenyl]methylazanium Openeye Name: [2-[4-[[(5S)-5-methyl-3-oxo-pyrazolidin-1-yl]methyl]phenyl]phenyl]methylammonium CAS Name: [2-[4-[[(5S)-5-methyl-3-oxo-1-pyrazolidinyl]methyl]phenyl]phenyl]methylammonium IUPAC Name: [2-[4-[[(5S)-5-methyl-3-oxopyrazolidin-1-yl]methyl]phenyl]phenyl]methylazanium Traditional Name: [2-[4-[[(5S)-3-keto-5-methyl-pyrazolidin-1-yl]methyl]phenyl]benzyl]ammonium Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN1CC2=CC=C(C=C2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C[C@H]1CC(=O)NN1CC2=CC=C(C=C2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C18H21N3O/c1-13-10-18(22)20-21(13)12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-19/h2-9,13H,10-12,19H2,1H3,(H,20,22)/p+1/t13-/m0/s1