(3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-ol Formula: C24H33N6O+3 MolecularWeight: 421.55842

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C24H30N6O/c31-22-19-27(18-20-6-5-12-30(20)24-8-2-4-11-26-24)13-9-21(22)28-14-16-29(17-15-28)23-7-1-3-10-25-23/h1-8,10-12,21-22,31H,9,13-19H2/p+3/t21-,22-/m1/s1