propan-2-yl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: propan-2-yl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isopropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylammonium IUPAC Name: propan-2-yl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isopropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]C(C)C)C(=N1)C(=O)N3CCSCC3

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]C(C)C)C(=N1)C(=O)N3CCSCC3

InChI

InChI=1S/C18H30N4OS/c1-4-7-22-16-6-5-14(19-13(2)3)12-15(16)17(20-22)18(23)21-8-10-24-11-9-21/h13-14,19H,4-12H2,1-3H3/p+1/t14-/m1/s1