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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethyl)-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furanylmethyl)-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]propyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]azanium Traditional Name: 2-furfuryl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-[(1S)-1-(1-p-anisyltetrazol-5-yl)propyl]ammonium Formula: C29H33N6O3+ MolecularWeight: 513.61072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=C(C=C2)OC)[NH+](CC3=CC=CO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC2=CC=C(C=C2)OC)[NH+](CC3=CC=CO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C29H32N6O3/c1-5-27(28-31-32-33-35(28)16-21-8-10-24(37-4)11-9-21)34(18-25-7-6-12-38-25)17-23-15-22-13-19(2)20(3)14-26(22)30-29(23)36/h6-15,27H,5,16-18H2,1-4H3,(H,30,36)/p+1/t27-/m0/s1