[(2R)-2-[4-(2-prop-2-enylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-[4-(2-prop-2-enylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-[4-(2-allylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-[4-(2-prop-2-enylphenoxy)phenyl]-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(2-prop-2-enylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-[4-(2-allylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C21H28N2O+2 MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCC3

Isomeric SMILES

C=CCC1=CC=CC=C1OC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O/c1-2-7-18-8-3-4-9-21(18)24-19-12-10-17(11-13-19)20(16-22)23-14-5-6-15-23/h2-4,8-13,20H,1,5-7,14-16,22H2/p+2/t20-/m0/s1