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

Systemtic Name: ethyl-[(5S)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: ethyl-[(5S)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzyl-ethyl-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](CC)CC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@H](CC2)[NH+](CC)CC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C23H32N4OS/c1-3-25(17-18-8-6-5-7-9-18)19-10-11-21-20(16-19)22(24-27(21)4-2)23(28)26-12-14-29-15-13-26/h5-9,19H,3-4,10-17H2,1-2H3/p+1/t19-/m0/s1