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

Systemtic Name: 3-propan-2-yloxypropyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 3-isopropoxypropyl-[(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]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: 3-propan-2-yloxypropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 3-isopropoxypropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H37N4O2S+ MolecularWeight: 409.60908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O2S/c1-4-9-25-19-7-6-17(22-8-5-12-27-16(2)3)15-18(19)20(23-25)21(26)24-10-13-28-14-11-24/h16-17,22H,4-15H2,1-3H3/p+1/t17-/m1/s1