[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-methyl-veratryl-ammonium Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-23(13-15-8-9-17(26-2)18(12-15)27-3)14-20(25)22-19-10-11-21-24(19)16-6-4-5-7-16/h8-12,16H,4-7,13-14H2,1-3H3,(H,22,25)/p+1