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

Systemtic Name: [(1S)-1-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: [(1S)-1-(1-cyclopentyl-5-tetrazolyl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: benzyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C28H35N6O+ MolecularWeight: 471.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C2CCCC2)[NH+](CC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C2CCCC2)[NH+](CC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C28H34N6O/c1-4-26(27-30-31-32-34(27)24-12-8-9-13-24)33(17-21-10-6-5-7-11-21)18-23-16-22-14-19(2)20(3)15-25(22)29-28(23)35/h5-7,10-11,14-16,24,26H,4,8-9,12-13,17-18H2,1-3H3,(H,29,35)/p+1/t26-/m0/s1