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

Systemtic Name: cyclopentyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]azanium Openeye Name: cyclopentyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]ammonium CAS Name: cyclopentyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyl-5-tetrazolyl)propyl]ammonium IUPAC Name: cyclopentyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]azanium Traditional Name: cyclopentyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]ammonium Formula: C29H37N6O3+ MolecularWeight: 517.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)OC)OC)C5CCCC5

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)OC)OC)C5CCCC5

InChI

InChI=1S/C29H36N6O3/c1-4-25(28-31-32-33-35(28)15-14-20-10-6-5-7-11-20)34(23-12-8-9-13-23)19-22-16-21-17-26(37-2)27(38-3)18-24(21)30-29(22)36/h5-7,10-11,16-18,23,25H,4,8-9,12-15,19H2,1-3H3,(H,30,36)/p+1/t25-/m0/s1