[(2R)-2-[4-(2-propan-2-ylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-[4-(2-propan-2-ylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-[4-(2-isopropylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-[4-(2-propan-2-ylphenoxy)phenyl]-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(2-propan-2-ylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-[4-(2-isopropylphenoxy)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:

CC(C)C1=CC=CC=C1OC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCC3

InChI

InChI=1S/C21H28N2O/c1-16(2)19-7-3-4-8-21(19)24-18-11-9-17(10-12-18)20(15-22)23-13-5-6-14-23/h3-4,7-12,16,20H,5-6,13-15,22H2,1-2H3/p+2/t20-/m0/s1