3-[(2S)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propyl]piperidin-1-ium-2-yl]pyridine Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1CCC[NH+]2CCCCC2C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(NN=C1CCC[NH+]2CCCC[C@H]2C3=CN=CC=C3)C

InChI

InChI=1S/C18H26N4/c1-14-15(2)20-21-17(14)8-6-12-22-11-4-3-9-18(22)16-7-5-10-19-13-16/h5,7,10,13,18H,3-4,6,8-9,11-12H2,1-2H3,(H,20,21)/p+1/t18-/m0/s1