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

Systemtic Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine Openeye Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine CAS Name: 2-[3-[1-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyrazolyl]phenyl]pyrimidine IUPAC Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine Traditional Name: 2-[3-[1-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5/c1-25-13-3-2-8-19(25)9-14-26-15-10-20(24-26)17-6-4-7-18(16-17)21-22-11-5-12-23-21/h4-7,10-12,15-16,19H,2-3,8-9,13-14H2,1H3/p+1/t19-/m0/s1