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

Systemtic Name: cyclohexyl-[(3S,5R)-2-ethanoyl-5-methyl-1-phenyl-pyrazolidin-3-yl]azanium Openeye Name: [(3S,5R)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-cyclohexyl-ammonium CAS Name: [(3S,5R)-2-acetyl-5-methyl-1-phenyl-3-pyrazolidinyl]-cyclohexylammonium IUPAC Name: [(3S,5R)-2-acetyl-5-methyl-1-phenylpyrazolidin-3-yl]-cyclohexylazanium Traditional Name: [(3S,5R)-2-acetyl-5-methyl-1-phenyl-pyrazolidin-3-yl]-cyclohexyl-ammonium Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(N1C2=CC=CC=C2)C(=O)C)[NH2+]C3CCCCC3

Isomeric SMILES

C[C@@H]1C[C@H](N(N1C2=CC=CC=C2)C(=O)C)[NH2+]C3CCCCC3

InChI

InChI=1S/C18H27N3O/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/h4,7-8,11-12,14,16,18-19H,3,5-6,9-10,13H2,1-2H3/p+1/t14-,18+/m1/s1