[(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(3-phenoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(3-phenoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(3-phenoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-(3-phenoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(3-phenoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(3-phenoxyphenyl)ethyl]ammonium Formula: C20H28N2O+2 MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O/c1-16-8-5-6-13-22(16)20(15-21)17-9-7-12-19(14-17)23-18-10-3-2-4-11-18/h2-4,7,9-12,14,16,20H,5-6,8,13,15,21H2,1H3/p+2/t16-,20-/m0/s1