[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylammonium IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium Traditional Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NC2=CC=NN2C3CCCC3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NC2=CC=NN2C3CCCC3)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-15-11-18(27-3)19(28-4)12-16(15)13-24(2)14-21(26)23-20-9-10-22-25(20)17-7-5-6-8-17/h9-12,17H,5-8,13-14H2,1-4H3,(H,23,26)/p+1