2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl-[(2-oxidanyl-5-phenyl-phenyl)methyl]azanium

Systemtic Name: 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl-[(2-oxidanyl-5-phenyl-phenyl)methyl]azanium Openeye Name: (2-hydroxy-5-phenyl-phenyl)methyl-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]ammonium CAS Name: (2-hydroxy-5-phenylphenyl)methyl-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]ammonium IUPAC Name: (2-hydroxy-5-phenylphenyl)methyl-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]azanium Traditional Name: (2-hydroxy-5-phenyl-benzyl)-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]ammonium Formula: C20H28N2O+2 MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CC[NH2+]CC2=C(C=CC(=C2)C3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CCC[C@H]1CC[NH2+]CC2=C(C=CC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H26N2O/c1-22-13-5-8-19(22)11-12-21-15-18-14-17(9-10-20(18)23)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,21,23H,5,8,11-13,15H2,1H3/p+2/t19-/m0/s1