(5R)-1-methyl-N-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5R)-1-methyl-N-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-1-methyl-N-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-1-methyl-N-phenethyl-5-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-1-methyl-N-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-1-methyl-N-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C27H41N5O+2 MolecularWeight: 451.64734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCC(CC3)[NH+]4CCCCC4)C(=N1)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCC(CC3)[NH+]4CCCCC4)C(=N1)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H39N5O/c1-30-25-11-10-23(32-18-13-22(14-19-32)31-16-6-3-7-17-31)20-24(25)26(29-30)27(33)28-15-12-21-8-4-2-5-9-21/h2,4-5,8-9,22-23H,3,6-7,10-20H2,1H3,(H,28,33)/p+2/t23-/m1/s1