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

Systemtic Name: (1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-phenethyl-azanium Openeye Name: (1-cyclohexyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-phenethyl-ammonium CAS Name: (1-cyclohexyl-5-tetrazolyl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-phenethylammonium IUPAC Name: (1-cyclohexyltetrazol-5-yl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-phenethylazanium Traditional Name: (1-cyclohexyltetrazol-5-yl)methyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-phenethyl-ammonium Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C27H32N6O2/c1-35-24-13-12-21-16-22(27(34)28-25(21)17-24)18-32(15-14-20-8-4-2-5-9-20)19-26-29-30-31-33(26)23-10-6-3-7-11-23/h2,4-5,8-9,12-13,16-17,23H,3,6-7,10-11,14-15,18-19H2,1H3,(H,28,34)/p+1