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

Systemtic Name: cyclohexyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: cyclohexyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: cyclohexyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: cyclohexyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: cyclohexyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C28H35N6O+ MolecularWeight: 471.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C28H34N6O/c1-2-21-13-14-26-23(17-21)18-24(28(35)29-26)19-33(25-11-7-4-8-12-25)20-27-30-31-32-34(27)16-15-22-9-5-3-6-10-22/h3,5-6,9-10,13-14,17-18,25H,2,4,7-8,11-12,15-16,19-20H2,1H3,(H,29,35)/p+1