2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyridine-3-carbonitrile

Systemtic Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyridine-3-carbonitrile Openeye Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyridine-3-carbonitrile CAS Name: 2-[3-[1-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyrazolyl]phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyridine-3-carbonitrile Traditional Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]nicotinonitrile Formula: C23H26N5+ MolecularWeight: 372.48604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCN2C=CC(=N2)C3=CC(=CC=C3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCN2C=CC(=N2)C3=CC(=CC=C3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C23H25N5/c1-27-13-3-2-9-21(27)10-14-28-15-11-22(26-28)18-6-4-7-19(16-18)23-20(17-24)8-5-12-25-23/h4-8,11-12,15-16,21H,2-3,9-10,13-14H2,1H3/p+1/t21-/m0/s1