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

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-[3-(2-ketopyrrolidino)propyl]ammonium Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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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+]CCCN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CCCN4CCCC4=O

InChI

InChI=1S/C23H27N5O3S/c1-2-31-22(30)18-14-25-28(23-26-19(16-32-23)17-8-4-3-5-9-17)20(18)15-24-11-7-13-27-12-6-10-21(27)29/h3-5,8-9,14,16,24H,2,6-7,10-13,15H2,1H3/p+1