(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium

Systemtic Name: (6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: (2-keto-6,8-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=CC(=C2C(=C1)C=C(C(=O)N2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5)C

InChI

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