(3-ethanoylphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: (3-ethanoylphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (3-acetylphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (3-acetylphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (3-acetylphenyl)methyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (3-acetylbenzyl)-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H23N3O/c1-15(22-13-18-8-7-9-19(12-18)17(3)25)21-14-23-24(16(21)2)20-10-5-4-6-11-20/h4-12,14-15,22H,13H2,1-3H3/p+1/t15-/m0/s1