N-[2-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H27N6O+ MolecularWeight: 427.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=CN4C5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=CN4C5=CN=CC=C5

InChI

InChI=1S/C25H26N6O/c32-25(20-6-2-1-3-7-20)28-24-10-14-27-31(24)21-11-16-29(17-12-21)19-23-9-5-15-30(23)22-8-4-13-26-18-22/h1-10,13-15,18,21H,11-12,16-17,19H2,(H,28,32)/p+1