2-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(S)-(1-tert-butyl-5-tetrazolyl)-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-22(2,3)27-21(23-24-25-27)20(17-9-11-19(28-4)12-10-17)26-14-13-16-7-5-6-8-18(16)15-26/h5-12,20H,13-15H2,1-4H3/p+1/t20-/m0/s1