3-indazol-1-ylpropyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-indazol-1-ylpropyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-indazol-1-ylpropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(1-indazolyl)propyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(3-indazol-1-ylpropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(3-indazol-1-ylpropyl)ammonium Formula: C25H36N4O2+2 MolecularWeight: 424.57894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CCCN3C4=CC=CC=C4C=N3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CCCN3C4=CC=CC=C4C=N3)O

InChI

InChI=1S/C25H34N4O2/c30-23(19-28-14-6-1-7-15-28)20-31-25-12-5-3-10-22(25)17-26-13-8-16-29-24-11-4-2-9-21(24)18-27-29/h2-5,9-12,18,23,26,30H,1,6-8,13-17,19-20H2/p+2/t23-/m0/s1