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

Systemtic Name: (8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: (8-methyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: (2-keto-8-methyl-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C29H31N6O+ MolecularWeight: 479.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

InChI

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