[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone

Systemtic Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Openeye Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone CAS Name: [(3R)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Traditional Name: [(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@H](C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c1-25-15-18(14-24-25)16-26-13-5-8-22(17-26)23(27)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,22H,5,8,13,16-17H2,1H3/p+1/t22-/m1/s1