[(3S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C26H35N4O+ MolecularWeight: 419.5823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC[C@@H](C3)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O/c1-21-25(26(31)30(28(21)3)23-13-8-5-9-14-23)20-29-17-10-15-24(19-29)27(2)18-16-22-11-6-4-7-12-22/h4-9,11-14,24H,10,15-20H2,1-3H3/p+1/t24-/m0/s1