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

Systemtic Name: cyclohexyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: cyclohexyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C27H33N6O+ MolecularWeight: 457.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C27H32N6O/c1-20-9-8-12-22-17-23(27(34)28-26(20)22)18-32(24-13-6-3-7-14-24)19-25-29-30-31-33(25)16-15-21-10-4-2-5-11-21/h2,4-5,8-12,17,24H,3,6-7,13-16,18-19H2,1H3,(H,28,34)/p+1