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

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

CC1CCC[NH+](C1)C(C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

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