[2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium

Systemtic Name: [2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Openeye Name: [2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: [2-(2-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[(4S)-2,2-dimethyl-4-oxanyl]ammonium IUPAC Name: [2-(2-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Traditional Name: [4-carbethoxy-2-(2-chlorophenyl)pyrazol-3-yl]methyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C20H27ClN3O3+ MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH2+]C3CCOC(C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH2+][C@H]3CCOC(C3)(C)C

InChI

InChI=1S/C20H26ClN3O3/c1-4-26-19(25)15-12-23-24(17-8-6-5-7-16(17)21)18(15)13-22-14-9-10-27-20(2,3)11-14/h5-8,12,14,22H,4,9-11,13H2,1-3H3/p+1/t14-/m0/s1