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

Systemtic Name: (6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: (6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: (6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: (6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: (6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-phenethyl-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C30H33N6O2+ MolecularWeight: 509.62202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C30H32N6O2/c1-2-38-27-13-14-28-25(20-27)19-26(30(37)31-28)21-35(17-15-23-9-5-3-6-10-23)22-29-32-33-34-36(29)18-16-24-11-7-4-8-12-24/h3-14,19-20H,2,15-18,21-22H2,1H3,(H,31,37)/p+1