[(2R)-2-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-[4-(m-tolylmethoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-[4-[(3-methylphenyl)methoxy]phenyl]-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-[4-(3-methylbenzyl)oxyphenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C20H28N2O+2 MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O/c1-16-5-4-6-17(13-16)15-23-19-9-7-18(8-10-19)20(14-21)22-11-2-3-12-22/h4-10,13,20H,2-3,11-12,14-15,21H2,1H3/p+2/t20-/m0/s1