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

Systemtic Name: [(1S)-1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)propyl]-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-(furan-2-ylmethyl)azanium Openeye Name: [(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-furylmethyl)ammonium CAS Name: [(1S)-1-(1-cyclohexyl-5-tetrazolyl)propyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: [(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: [(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-(2-furfuryl)-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C27H35N6O2+ MolecularWeight: 475.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C2CCCCC2)[NH+](CC3=CC=CO3)CC4=CC5=C(C=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C2CCCCC2)[NH+](CC3=CC=CO3)CC4=CC5=C(C=C(C=C5NC4=O)C)C

InChI

InChI=1S/C27H34N6O2/c1-4-25(26-29-30-31-33(26)21-9-6-5-7-10-21)32(17-22-11-8-12-35-22)16-20-15-23-19(3)13-18(2)14-24(23)28-27(20)34/h8,11-15,21,25H,4-7,9-10,16-17H2,1-3H3,(H,28,34)/p+1/t25-/m0/s1