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

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-(3-isoxazolylmethyl)-methylammonium IUPAC Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [2-(1,3-benzothiazol-2-yl)-4-carbethoxy-pyrazol-3-yl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C19H20N5O3S+ MolecularWeight: 398.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)C[NH+](C)CC4=NOC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)C[NH+](C)CC4=NOC=C4

InChI

InChI=1S/C19H19N5O3S/c1-3-26-18(25)14-10-20-24(19-21-15-6-4-5-7-17(15)28-19)16(14)12-23(2)11-13-8-9-27-22-13/h4-10H,3,11-12H2,1-2H3/p+1