[4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]C(C)COC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+][C@H](C)COC

InChI

InChI=1S/C20H24N4O3S/c1-4-27-19(25)16-10-22-24(18(16)11-21-14(2)12-26-3)20-23-17(13-28-20)15-8-6-5-7-9-15/h5-10,13-14,21H,4,11-12H2,1-3H3/p+1/t14-/m1/s1