[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol Formula: C18H30N2O+2 MolecularWeight: 290.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)CO

InChI

InChI=1S/C18H28N2O/c21-15-17-7-4-10-20(14-17)18-8-11-19(12-9-18)13-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/p+2/t17-/m0/s1