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

Systemtic Name: 1-phenyl-4-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-phenyl-4-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-phenyl-4-[(3S)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-phenyl-4-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-phenyl-4-[(3S)-1-[[1-(3-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=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5/c1-2-7-22(8-3-1)28-15-17-29(18-16-28)24-10-5-13-27(20-24)21-25-11-6-14-30(25)23-9-4-12-26-19-23/h1-4,6-9,11-12,14,19,24H,5,10,13,15-18,20-21H2/p+1/t24-/m0/s1