[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]-ethyl-ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4O/c1-4-25(15-19-11-7-5-8-12-19)16-21(27)23-22-17(2)24-26(18(22)3)20-13-9-6-10-14-20/h5-14H,4,15-16H2,1-3H3,(H,23,27)/p+1