[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-(3-phenoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-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:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O/c1-16-10-12-22(13-11-16)20(15-21)17-6-5-9-19(14-17)23-18-7-3-2-4-8-18/h2-9,14,16,20H,10-13,15,21H2,1H3/p+2/t20-/m1/s1