[(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: [(1S)-1-(1-tert-butyl-5-tetrazolyl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-(2-thenyl)ammonium Formula: C25H33N6OS+ MolecularWeight: 465.63412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)C)[NH+](CC2=CC=CS2)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)C)[NH+](CC2=CC=CS2)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C25H32N6OS/c1-7-22(23-27-28-29-31(23)25(4,5)6)30(15-20-9-8-10-33-20)14-19-13-18-11-16(2)17(3)12-21(18)26-24(19)32/h8-13,22H,7,14-15H2,1-6H3,(H,26,32)/p+1/t22-/m0/s1