(3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-(4-methoxy-2,5-dimethyl-benzyl)pyrrolidin-1-ium-3-ol Formula: C14H22NO2+ MolecularWeight: 236.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCC(C2)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[C@@H](C2)O)C)OC

InChI

InChI=1S/C14H21NO2/c1-10-7-14(17-3)11(2)6-12(10)8-15-5-4-13(16)9-15/h6-7,13,16H,4-5,8-9H2,1-3H3/p+1/t13-/m0/s1