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

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-ol CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-ol Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-ol Formula: C17H28N2O+2 MolecularWeight: 276.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c20-17-7-4-10-19(14-17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2/p+2/t17-/m0/s1