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

Systemtic Name: cyclohexyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]azanium Openeye Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]ammonium CAS Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyl-5-tetrazolyl)propyl]ammonium IUPAC Name: cyclohexyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]azanium Traditional Name: cyclohexyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]ammonium Formula: C30H39N6O3+ MolecularWeight: 531.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)OC)OC)C5CCCCC5

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)OC)OC)C5CCCCC5

InChI

InChI=1S/C30H38N6O3/c1-4-26(29-32-33-34-36(29)16-15-21-11-7-5-8-12-21)35(24-13-9-6-10-14-24)20-23-17-22-18-27(38-2)28(39-3)19-25(22)31-30(23)37/h5,7-8,11-12,17-19,24,26H,4,6,9-10,13-16,20H2,1-3H3,(H,31,37)/p+1/t26-/m0/s1