(5-ethylfuran-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (5-ethylfuran-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (5-ethyl-2-furyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (5-ethyl-2-furanyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (5-ethylfuran-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (5-ethyl-2-furyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium Formula: C25H40N4O+2 MolecularWeight: 412.6113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

InChI=1S/C25H38N4O/c1-3-24-4-5-25(30-24)20-28(18-21-6-12-26-13-7-21)19-22-8-16-29(17-9-22)23-10-14-27(2)15-11-23/h4-7,12-13,22-23H,3,8-11,14-20H2,1-2H3/p+2