[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=[NH+]C=CN2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=[NH+]C=CN2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-22(18-5-4-14-25(15-18)16-21-23-12-13-24-21)17-8-10-20(11-9-17)27-19-6-2-1-3-7-19/h1-3,6-13,18H,4-5,14-16H2,(H,23,24)/p+1/t18-/m0/s1