(3-ethoxy-3-oxidanylidene-propyl)-[(5S)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (3-ethoxy-3-oxidanylidene-propyl)-[(5S)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (3-ethoxy-3-oxo-propyl)-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (3-ethoxy-3-oxopropyl)-[(5S)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-ethoxy-3-oxopropyl)-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: (3-ethoxy-3-keto-propyl)-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]CCC(=O)OCC)C(=N1)C(=O)N3CCSCC3

Isomeric SMILES

CCN1C2=C(C[C@H](CC2)[NH2+]CCC(=O)OCC)C(=N1)C(=O)N3CCSCC3

InChI

InChI=1S/C19H30N4O3S/c1-3-23-16-6-5-14(20-8-7-17(24)26-4-2)13-15(16)18(21-23)19(25)22-9-11-27-12-10-22/h14,20H,3-13H2,1-2H3/p+1/t14-/m0/s1