[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C21H26N6O/c1-25(14-17-13-23-26(15-17)18-7-3-2-4-8-18)16-21(28)24-20-11-12-22-27(20)19-9-5-6-10-19/h2-4,7-8,11-13,15,19H,5-6,9-10,14,16H2,1H3,(H,24,28)/p+1