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

Systemtic Name: cyclohexyl-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: cyclohexyl-[(1-cyclohexyltetrazol-5-yl)methyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: cyclohexyl-[(1-cyclohexyl-5-tetrazolyl)methyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: cyclohexyl-[(1-cyclohexyltetrazol-5-yl)methyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: cyclohexyl-[(1-cyclohexyltetrazol-5-yl)methyl]-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]ammonium Formula: C26H37N6O+ MolecularWeight: 449.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CC3=NN=NN3C4CCCCC4)C5CCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CC3=NN=NN3C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C26H36N6O/c1-2-19-13-14-24-20(15-19)16-21(26(33)27-24)17-31(22-9-5-3-6-10-22)18-25-28-29-30-32(25)23-11-7-4-8-12-23/h13-16,22-23H,2-12,17-18H2,1H3,(H,27,33)/p+1