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

Systemtic Name: (5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: (5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: (5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: (5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: (2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C30H33N6O+ MolecularWeight: 493.62262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C30H32N6O/c1-22-13-14-23(2)29-27(22)19-26(30(37)31-29)20-35(17-15-24-9-5-3-6-10-24)21-28-32-33-34-36(28)18-16-25-11-7-4-8-12-25/h3-14,19H,15-18,20-21H2,1-2H3,(H,31,37)/p+1