2-[2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine

Systemtic Name: 2-[2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine Openeye Name: 2-[2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine CAS Name: 2-[2-[[(3S)-3-(1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]-1-pyrrolyl]pyridine IUPAC Name: 2-[2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine Traditional Name: 2-[2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]pyridine Formula: C18H22N5+ MolecularWeight: 308.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CC=CC=N3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CC=CC=N3)C4=CC=NN4

InChI

InChI=1S/C18H21N5/c1-2-9-19-18(7-1)23-12-4-6-16(23)14-22-11-3-5-15(13-22)17-8-10-20-21-17/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,20,21)/p+1/t15-/m0/s1