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

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-(3-isoxazolylmethyl)-methylammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C21H22N5O3S+ MolecularWeight: 424.49608

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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[NH+](C)CC4=NOC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH+](C)CC4=NOC=C4

InChI

InChI=1S/C21H21N5O3S/c1-3-28-20(27)17-11-22-26(19(17)13-25(2)12-16-9-10-29-24-16)21-23-18(14-30-21)15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3/p+1