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

Systemtic Name: (6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: (6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: (2-keto-6-methoxy-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C29H31N6O2+ MolecularWeight: 495.59544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N6O2/c1-37-26-12-13-27-24(19-26)18-25(29(36)30-27)20-34(16-14-22-8-4-2-5-9-22)21-28-31-32-33-35(28)17-15-23-10-6-3-7-11-23/h2-13,18-19H,14-17,20-21H2,1H3,(H,30,36)/p+1