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

Systemtic Name: [(3S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-3-piperidyl]-methyl-ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC[C@@H](C3)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c1-20-24(25(30)29(27(20)3)22-13-8-5-9-14-22)19-28-16-10-15-23(18-28)26(2)17-21-11-6-4-7-12-21/h4-9,11-14,23H,10,15-19H2,1-3H3/p+1/t23-/m0/s1