(1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyridylmethyl)-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-(3-pyridinylmethyl)-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyridylmethyl)-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C27H37N5+2 MolecularWeight: 431.61618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C27H35N5/c1-2-9-25(8-1)31-17-12-23(13-18-31)20-30(21-24-7-5-14-28-19-24)22-26-10-6-16-32(26)27-11-3-4-15-29-27/h3-7,10-11,14-16,19,23,25H,1-2,8-9,12-13,17-18,20-22H2/p+2