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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=CN=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=CN=CC=C5

InChI

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