(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-[(8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinolin-4-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-[(8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinolin-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (1-tert-butyltetrazol-5-yl)methyl-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: (1-tert-butyl-5-tetrazolyl)methyl-[(8-methyl-4-tetrazolo[1,5-a]quinolinyl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-tert-butyltetrazol-5-yl)methyl-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (1-tert-butyltetrazol-5-yl)methyl-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-(2-thenyl)ammonium Formula: C22H26N9S+ MolecularWeight: 448.56714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C3=NN=NN23)C[NH+](CC4=CC=CS4)CC5=NN=NN5C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C3=NN=NN23)C[NH+](CC4=CC=CS4)CC5=NN=NN5C(C)(C)C

InChI

InChI=1S/C22H25N9S/c1-15-7-8-16-11-17(21-24-26-27-30(21)19(16)10-15)12-29(13-18-6-5-9-32-18)14-20-23-25-28-31(20)22(2,3)4/h5-11H,12-14H2,1-4H3/p+1