[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyloxan-4-yl)methyl]azanium

Systemtic Name: [(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyloxan-4-yl)methyl]azanium Openeye Name: [(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium CAS Name: [(5R)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyl-4-oxanyl)methyl]ammonium IUPAC Name: [(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyloxan-4-yl)methyl]azanium Traditional Name: [(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium Formula: C26H37N4O2+ MolecularWeight: 437.59758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCC5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCC5

InChI

InChI=1S/C26H36N4O2/c1-29-23-11-10-21(18-22(23)24(28-29)25(31)30-14-6-3-7-15-30)27-19-26(12-16-32-17-13-26)20-8-4-2-5-9-20/h2,4-5,8-9,21,27H,3,6-7,10-19H2,1H3/p+1/t21-/m1/s1