1-[(R)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-3-yl-methyl]azepan-1-ium

Systemtic Name: 1-[(R)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-3-yl-methyl]azepan-1-ium Openeye Name: 1-[(R)-(1-tert-butyltetrazol-5-yl)-(3-pyridyl)methyl]azepan-1-ium CAS Name: 1-[(R)-(1-tert-butyl-5-tetrazolyl)-(3-pyridinyl)methyl]azepan-1-ium IUPAC Name: 1-[(R)-(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]azepan-1-ium Traditional Name: 1-[(R)-(1-tert-butyltetrazol-5-yl)-(3-pyridyl)methyl]azepan-1-ium Formula: C17H27N6+ MolecularWeight: 315.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@@H](C2=CN=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C17H26N6/c1-17(2,3)23-16(19-20-21-23)15(14-9-8-10-18-13-14)22-11-6-4-5-7-12-22/h8-10,13,15H,4-7,11-12H2,1-3H3/p+1/t15-/m1/s1