[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidin-1-iumyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-17-14-20(25-24-17)16-26-13-5-6-19(15-26)23(27)18-9-11-22(12-10-18)28-21-7-3-2-4-8-21/h2-4,7-12,14,19H,5-6,13,15-16H2,1H3,(H,24,25)/p+1/t19-/m0/s1