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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6/c1-17(2,3)23-16(19-20-21-23)15(14-8-10-18-11-9-14)22-12-6-4-5-7-13-22/h8-11,15H,4-7,12-13H2,1-3H3/p+1/t15-/m0/s1