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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]-1,2,3,4-tetrazol-5-yl]propyl]-phenethyl-azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1R)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1R)-1-[1-[[(2S)-2-oxolanyl]methyl]-5-tetrazolyl]propyl]-phenethylammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-phenethylazanium Traditional Name: (2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-phenethyl-[(1R)-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-yl]propyl]ammonium Formula: C29H37N6O2+ MolecularWeight: 501.64308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2CCCO2)[NH+](CCC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@H](C1=NN=NN1C[C@@H]2CCCO2)[NH+](CCC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C29H36N6O2/c1-4-27(28-31-32-33-35(28)19-25-11-8-14-37-25)34(13-12-22-9-6-5-7-10-22)18-24-17-23-15-20(2)21(3)16-26(23)30-29(24)36/h5-7,9-10,15-17,25,27H,4,8,11-14,18-19H2,1-3H3,(H,30,36)/p+1/t25-,27+/m0/s1