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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+](CC3CCCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+](C[C@@H]3CCCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C29H36N6O2/c1-4-27(28-31-32-33-35(28)13-12-22-9-6-5-7-10-22)34(19-25-11-8-14-37-25)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