(4S)-1,5-dimethyl-4-[[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-phenyl-4H-pyrazol-1-ium-3-one

Systemtic Name: (4S)-1,5-dimethyl-4-[[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-phenyl-4H-pyrazol-1-ium-3-one Openeye Name: (4S)-1,5-dimethyl-4-[[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-phenyl-4H-pyrazol-1-ium-3-one CAS Name: (4S)-1,5-dimethyl-4-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-phenyl-4H-pyrazol-1-ium-3-one IUPAC Name: (4S)-1,5-dimethyl-4-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-phenyl-4H-pyrazol-1-ium-3-one Traditional Name: (4S)-1,5-dimethyl-4-[[(E)-2-methyl-3-phenyl-prop-2-enylidene]amino]-2-phenyl-2-pyrazolin-1-ium-3-one Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=O)C1N=CC(=CC2=CC=CC=C2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=[N+](N(C(=O)[C@H]1N=C/C(=C/C2=CC=CC=C2)/C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N3O/c1-16(14-18-10-6-4-7-11-18)15-22-20-17(2)23(3)24(21(20)25)19-12-8-5-9-13-19/h4-15,20H,1-3H3/q+1/b16-14+,22-15?/t20-/m0/s1