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

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(3-morpholinopropyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(3-morpholinopropyl)ammonium Formula: C23H30N5O3S+ MolecularWeight: 456.581

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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+]CCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CCCN4CCOCC4

InChI

InChI=1S/C23H29N5O3S/c1-2-31-22(29)19-15-25-28(23-26-20(17-32-23)18-7-4-3-5-8-18)21(19)16-24-9-6-10-27-11-13-30-14-12-27/h3-5,7-8,15,17,24H,2,6,9-14,16H2,1H3/p+1