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

Systemtic Name: (1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-phenethyl-azanium Openeye Name: (1-cyclohexyltetrazol-5-yl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-phenethyl-ammonium CAS Name: (1-cyclohexyl-5-tetrazolyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-phenethylammonium IUPAC Name: (1-cyclohexyltetrazol-5-yl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-phenethylazanium Traditional Name: (1-cyclohexyltetrazol-5-yl)methyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-phenethyl-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+](CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

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