(3R,4R)-4-(azepan-1-ium-1-yl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(8-quinolylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(8-quinolinylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(8-quinolylmethyl)piperidin-1-ium-3-ol Formula: C21H31N3O+2 MolecularWeight: 341.49034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H29N3O/c25-20-16-23(14-10-19(20)24-12-3-1-2-4-13-24)15-18-8-5-7-17-9-6-11-22-21(17)18/h5-9,11,19-20,25H,1-4,10,12-16H2/p+2/t19-,20-/m1/s1