[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-phenylphenyl)methanone Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CN2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CN2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O/c26-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)20-7-4-12-25(14-20)15-21-13-23-16-24-21/h1-3,5-6,8-11,13,16,20H,4,7,12,14-15H2,(H,23,24)/p+1/t20-/m0/s1