[(2R)-1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylazaniumyl]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylazaniumyl]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylammonio]ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylammonio]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylazaniumyl]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylammonio]ethyl]-dimethyl-ammonium Formula: C21H29ClN2O2+2 MolecularWeight: 376.92016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H27ClN2O2/c1-24(2)18(11-16-7-4-3-5-8-16)15-23-14-17-12-19(22)21-20(13-17)25-9-6-10-26-21/h3-5,7-8,12-13,18,23H,6,9-11,14-15H2,1-2H3/p+2/t18-/m1/s1