1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-phenyl-4-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-phenyl-4-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-phenyl-4-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine Formula: C25H32N5+ MolecularWeight: 402.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5/c1-2-8-22(9-3-1)28-16-18-29(19-17-28)23-10-6-14-27(20-23)21-24-11-7-15-30(24)25-12-4-5-13-26-25/h1-5,7-9,11-13,15,23H,6,10,14,16-21H2/p+1/t23-/m0/s1