[2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(1R)-1-thiophen-2-ylpropyl]azanium

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(1R)-1-thiophen-2-ylpropyl]azanium Openeye Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(1R)-1-(2-thienyl)propyl]ammonium CAS Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[(1R)-1-thiophen-2-ylpropyl]ammonium IUPAC Name: [2-(1,3-benzothiazol-2-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[(1R)-1-thiophen-2-ylpropyl]azanium Traditional Name: [2-(1,3-benzothiazol-2-yl)-4-carbethoxy-pyrazol-3-yl]methyl-[(1R)-1-(2-thienyl)propyl]ammonium Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)[NH2+]CC2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)OCC

Isomeric SMILES

CC[C@H](C1=CC=CS1)[NH2+]CC2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)OCC

InChI

InChI=1S/C21H22N4O2S2/c1-3-15(18-10-7-11-28-18)22-13-17-14(20(26)27-4-2)12-23-25(17)21-24-16-8-5-6-9-19(16)29-21/h5-12,15,22H,3-4,13H2,1-2H3/p+1/t15-/m1/s1