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

Systemtic Name: piperidin-1-yl-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[2-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[2-[[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[2-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C27H32N4O2/c32-27(30-16-6-1-7-17-30)24-10-2-3-11-25(24)33-23-13-19-29(20-14-23)21-22-9-8-18-31(22)26-12-4-5-15-28-26/h2-5,8-12,15,18,23H,1,6-7,13-14,16-17,19-21H2/p+1