1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-quinolyl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-(6-quinolinyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-1-ium-4-ol Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-quinolyl)methyl]piperidin-1-ium-4-ol Formula: C20H27N6O+ MolecularWeight: 367.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)[NH+]4CCC(CC4)O

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=C2)N=CC=C3)[NH+]4CCC(CC4)O

InChI

InChI=1S/C20H26N6O/c1-20(2,3)26-19(22-23-24-26)18(25-11-8-16(27)9-12-25)15-6-7-17-14(13-15)5-4-10-21-17/h4-7,10,13,16,18,27H,8-9,11-12H2,1-3H3/p+1/t18-/m0/s1