[(2R)-2-[4-(3,5-dimethylphenoxy)phenyl]-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-[4-(3,5-dimethylphenoxy)phenyl]-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-[4-(3,5-dimethylphenoxy)phenyl]-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-[4-(3,5-dimethylphenoxy)phenyl]-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(3,5-dimethylphenoxy)phenyl]-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-[4-(3,5-dimethylphenoxy)phenyl]-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCCC3)C

InChI

InChI=1S/C21H28N2O/c1-16-12-17(2)14-20(13-16)24-19-8-6-18(7-9-19)21(15-22)23-10-4-3-5-11-23/h6-9,12-14,21H,3-5,10-11,15,22H2,1-2H3/p+2/t21-/m0/s1