[(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-cyclohexyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-cyclohexyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-phenoxyphenyl)ethyl]-cyclohexyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-phenoxyphenyl)ethyl]-cyclohexyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-phenoxyphenyl)ethyl]-cyclohexyl-methyl-ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C(C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+](C1CCCCC1)[C@H](C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-23(18-10-4-2-5-11-18)21(16-22)17-9-8-14-20(15-17)24-19-12-6-3-7-13-19/h3,6-9,12-15,18,21H,2,4-5,10-11,16,22H2,1H3/p+2/t21-/m1/s1