[(1S)-1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)propyl]-cyclopentyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: [(1S)-1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)propyl]-cyclopentyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: [(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: [(1S)-1-(1-cyclohexyl-5-tetrazolyl)propyl]-cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: [(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: [(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-cyclopentyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C27H39N6O+ MolecularWeight: 463.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C2CCCCC2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)C)C)C5CCCC5

Isomeric SMILES

CC[C@@H](C1=NN=NN1C2CCCCC2)[NH+](CC3=CC4=CC(=C(C=C4NC3=O)C)C)C5CCCC5

InChI

InChI=1S/C27H38N6O/c1-4-25(26-29-30-31-33(26)23-12-6-5-7-13-23)32(22-10-8-9-11-22)17-21-16-20-14-18(2)19(3)15-24(20)28-27(21)34/h14-16,22-23,25H,4-13,17H2,1-3H3,(H,28,34)/p+1/t25-/m0/s1