[(2S)-1,4-dioxan-2-yl]methyl-[[4-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazol-3-yl]methyl]-methyl-azanium

Systemtic Name: [(2S)-1,4-dioxan-2-yl]methyl-[[4-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazol-3-yl]methyl]-methyl-azanium Openeye Name: [(2S)-1,4-dioxan-2-yl]methyl-[[4-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazol-3-yl]methyl]-methyl-ammonium CAS Name: [(2S)-1,4-dioxan-2-yl]methyl-[[4-ethoxycarbonyl-2-(4-methoxyphenyl)-3-pyrazolyl]methyl]-methylammonium IUPAC Name: [(2S)-1,4-dioxan-2-yl]methyl-[[4-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazol-3-yl]methyl]-methylazanium Traditional Name: [4-carbethoxy-2-(4-methoxyphenyl)pyrazol-3-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C[NH+](C)CC3COCCO3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C[NH+](C)C[C@H]3COCCO3

InChI

InChI=1S/C20H27N3O5/c1-4-27-20(24)18-11-21-23(15-5-7-16(25-3)8-6-15)19(18)13-22(2)12-17-14-26-9-10-28-17/h5-8,11,17H,4,9-10,12-14H2,1-3H3/p+1/t17-/m0/s1