[(3R,5S)-2-ethanoyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-phenyl-azanium

Systemtic Name: [(3R,5S)-2-ethanoyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-phenyl-azanium Openeye Name: [(3R,5S)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-phenyl-ammonium CAS Name: [(3R,5S)-2-acetyl-5-methyl-1-phenyl-3-pyrazolidinyl]-phenylammonium IUPAC Name: [(3R,5S)-2-acetyl-5-methyl-1-phenylpyrazolidin-3-yl]-phenylazanium Traditional Name: [(3R,5S)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-phenyl-ammonium Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(N1C2=CC=CC=C2)C(=O)C)[NH2+]C3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@@H](N(N1C2=CC=CC=C2)C(=O)C)[NH2+]C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c1-14-13-18(19-16-9-5-3-6-10-16)21(15(2)22)20(14)17-11-7-4-8-12-17/h3-12,14,18-19H,13H2,1-2H3/p+1/t14-,18+/m0/s1