[3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C26H30N4O2/c31-26(29-14-3-4-15-29)21-7-5-9-24(19-21)32-23-11-17-28(18-12-23)20-22-8-6-16-30(22)25-10-1-2-13-27-25/h1-2,5-10,13,16,19,23H,3-4,11-12,14-15,17-18,20H2/p+1