2-cyclobutyl-3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine

Systemtic Name: 2-cyclobutyl-3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine Openeye Name: 2-cyclobutyl-3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine CAS Name: 2-cyclobutyl-3-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]imidazo[4,5-b]pyridine IUPAC Name: 2-cyclobutyl-3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine Traditional Name: 2-cyclobutyl-3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine Formula: C21H29N6+ MolecularWeight: 365.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)N3C(=NC4=C3N=CC=C4)C5CCC5)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)N3C(=NC4=C3N=CC=C4)C5CCC5)C

InChI

InChI=1S/C21H28N6/c1-15-17(13-25(2)24-15)14-26-11-8-18(9-12-26)27-20(16-5-3-6-16)23-19-7-4-10-22-21(19)27/h4,7,10,13,16,18H,3,5-6,8-9,11-12,14H2,1-2H3/p+1