[(2R)-2-[3-(3-phenylpropoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[NH3+])C2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C[NH3+])C2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c22-17-21(23-13-4-5-14-23)19-11-6-12-20(16-19)24-15-7-10-18-8-2-1-3-9-18/h1-3,6,8-9,11-12,16,21H,4-5,7,10,13-15,17,22H2/p+2/t21-/m0/s1