[(5R)-1-(2-methylpropyl)-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [(5R)-1-(2-methylpropyl)-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-yl-methanone Openeye Name: [(5R)-1-isobutyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-morpholino-methanone CAS Name: [(5R)-1-(2-methylpropyl)-5-(1-piperidin-1-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-morpholinyl)methanone IUPAC Name: [(5R)-1-(2-methylpropyl)-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone Traditional Name: [(5R)-1-isobutyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-morpholino-methanone Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(CC(CC2)[NH+]3CCCCC3)C(=N1)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)CN1C2=C(C[C@@H](CC2)[NH+]3CCCCC3)C(=N1)C(=O)N4CCOCC4

InChI

InChI=1S/C21H34N4O2/c1-16(2)15-25-19-7-6-17(23-8-4-3-5-9-23)14-18(19)20(22-25)21(26)24-10-12-27-13-11-24/h16-17H,3-15H2,1-2H3/p+1/t17-/m1/s1