[1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C25H37N5O+2 MolecularWeight: 423.59418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C25H35N5O/c31-25(29-13-3-4-14-29)21-8-18-28(19-9-21)22-10-16-27(17-11-22)20-23-6-5-15-30(23)24-7-1-2-12-26-24/h1-2,5-7,12,15,21-22H,3-4,8-11,13-14,16-20H2/p+2