[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C18H24N4O/c1-21(13-15-7-3-2-4-8-15)14-18(23)20-17-11-12-19-22(17)16-9-5-6-10-16/h2-4,7-8,11-12,16H,5-6,9-10,13-14H2,1H3,(H,20,23)/p+1