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

Systemtic Name: [(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-isopropoxypropyl)ammonium CAS Name: [(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-isopropoxypropyl)ammonium Formula: C20H35N4O2S+ MolecularWeight: 395.5825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O2S/c1-4-24-18-7-6-16(21-8-5-11-26-15(2)3)14-17(18)19(22-24)20(25)23-9-12-27-13-10-23/h15-16,21H,4-14H2,1-3H3/p+1/t16-/m1/s1