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

Systemtic Name: (6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: (6-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: (6-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: (6-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: (2-keto-6-methyl-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C29H31N6O+ MolecularWeight: 479.59604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N6O/c1-22-12-13-27-25(18-22)19-26(29(36)30-27)20-34(16-14-23-8-4-2-5-9-23)21-28-31-32-33-35(28)17-15-24-10-6-3-7-11-24/h2-13,18-19H,14-17,20-21H2,1H3,(H,30,36)/p+1