2-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-phenyl-methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-phenyl-methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-phenyl-methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(S)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]-phenylmethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(S)-(1-tert-amyltetrazol-5-yl)-phenyl-methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CC=C2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N5/c1-4-22(2,3)27-21(23-24-25-27)20(18-11-6-5-7-12-18)26-15-14-17-10-8-9-13-19(17)16-26/h5-13,20H,4,14-16H2,1-3H3/p+1/t20-/m0/s1