[(1S)-2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(indan-5-ylamino)-2-oxo-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(indan-5-ylamino)-2-keto-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(=O)NC1=CC2=C(CCC2)C=C1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC(=O)NC1=CC2=C(CCC2)C=C1)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-24(2)20(17-7-4-3-5-8-17)14-22-15-21(25)23-19-12-11-16-9-6-10-18(16)13-19/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3,(H,23,25)/p+2/t20-/m1/s1