[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-3-14-27-19-10-8-17(9-11-19)15-24(2)16-21(26)23-20-12-13-22-25(20)18-6-4-5-7-18/h3,8-13,18H,1,4-7,14-16H2,2H3,(H,23,26)/p+1