(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]-1,2,3,4-tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]-1,2,3,4-tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]-(2-thienylmethyl)ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2S)-2-oxolanyl]methyl]-5-tetrazolyl]propyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]-(2-thenyl)ammonium Formula: C26H33N6O2S+ MolecularWeight: 493.64422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2CCCO2)[NH+](CC3=CC=CS3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C[C@@H]2CCCO2)[NH+](CC3=CC=CS3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C26H32N6O2S/c1-4-24(25-28-29-30-32(25)15-21-7-5-9-34-21)31(16-22-8-6-10-35-22)14-20-13-19-11-17(2)18(3)12-23(19)27-26(20)33/h6,8,10-13,21,24H,4-5,7,9,14-16H2,1-3H3,(H,27,33)/p+1/t21-,24-/m0/s1