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

Systemtic Name: cyclohexyl-[(1S)-1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: cyclohexyl-[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: cyclohexyl-[(1S)-1-(1-cyclohexyl-5-tetrazolyl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: cyclohexyl-[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: cyclohexyl-[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C28H41N6O+ MolecularWeight: 477.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C2CCCCC2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)C)C)C5CCCCC5

Isomeric SMILES

CC[C@@H](C1=NN=NN1C2CCCCC2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)C)C)C5CCCCC5

InChI

InChI=1S/C28H40N6O/c1-4-26(27-30-31-32-34(27)24-13-9-6-10-14-24)33(23-11-7-5-8-12-23)18-22-17-21-15-19(2)20(3)16-25(21)29-28(22)35/h15-17,23-24,26H,4-14,18H2,1-3H3,(H,29,35)/p+1/t26-/m0/s1