[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-17(2)25(15-19-10-6-4-7-11-19)16-22(27)23-21-14-18(3)24-26(21)20-12-8-5-9-13-20/h4-14,17H,15-16H2,1-3H3,(H,23,27)/p+1