(1S)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethanol Formula: C21H26NO3+ MolecularWeight: 340.43604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(C2=CC=CC=C2)O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H]([NH+](C1)C[C@H](C2=CC=CC=C2)O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25NO3/c23-19(16-6-2-1-3-7-16)15-22-11-4-8-18(22)17-9-10-20-21(14-17)25-13-5-12-24-20/h1-3,6-7,9-10,14,18-19,23H,4-5,8,11-13,15H2/p+1/t18-,19-/m1/s1