(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]propyl]-(phenylmethyl)azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-ethoxy-2-oxo-ethyl)tetrazol-5-yl]propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-ethoxy-2-oxoethyl)-5-tetrazolyl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-[1-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]propyl]azanium Traditional Name: benzyl-[(1S)-1-[1-(2-ethoxy-2-keto-ethyl)tetrazol-5-yl]propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC(=O)OCC)[NH+](CC2=CC=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC(=O)OCC)[NH+](CC2=CC=CC=C2)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C27H32N6O3/c1-5-24(26-29-30-31-33(26)17-25(34)36-6-2)32(15-20-10-8-7-9-11-20)16-22-14-21-12-18(3)19(4)13-23(21)28-27(22)35/h7-14,24H,5-6,15-17H2,1-4H3,(H,28,35)/p+1/t24-/m0/s1