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

Systemtic Name: piperidin-1-yl-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[2-[[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[2-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c32-25(30-15-4-1-5-16-30)23-9-2-3-10-24(23)33-22-11-18-29(19-12-22)20-21-8-6-17-31(21)26-27-13-7-14-28-26/h2-3,6-10,13-14,17,22H,1,4-5,11-12,15-16,18-20H2/p+1