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

Systemtic Name: (1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[[(2S)-oxolan-2-yl]methyl]azanium Openeye Name: (1-cyclohexyltetrazol-5-yl)methyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (1-cyclohexyl-5-tetrazolyl)methyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[(2S)-2-oxolanyl]methyl]ammonium IUPAC Name: (1-cyclohexyltetrazol-5-yl)methyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[(2S)-oxolan-2-yl]methyl]azanium Traditional Name: (1-cyclohexyltetrazol-5-yl)methyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C25H35N6O2+ MolecularWeight: 451.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)C[NH+](CC3CCCO3)CC4=NN=NN4C5CCCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)C[NH+](C[C@@H]3CCCO3)CC4=NN=NN4C5CCCCC5)C

InChI

InChI=1S/C25H34N6O2/c1-17-11-19-13-20(25(32)26-23(19)12-18(17)2)14-30(15-22-9-6-10-33-22)16-24-27-28-29-31(24)21-7-4-3-5-8-21/h11-13,21-22H,3-10,14-16H2,1-2H3,(H,26,32)/p+1/t22-/m0/s1