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

Systemtic Name: cyclohexyl-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: cyclohexyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: cyclohexyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: cyclohexyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: cyclohexyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C28H35N6O2+ MolecularWeight: 487.6165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C28H34N6O2/c1-2-36-25-13-14-26-22(18-25)17-23(28(35)29-26)19-33(24-11-7-4-8-12-24)20-27-30-31-32-34(27)16-15-21-9-5-3-6-10-21/h3,5-6,9-10,13-14,17-18,24H,2,4,7-8,11-12,15-16,19-20H2,1H3,(H,29,35)/p+1