[(2S)-2-(azepan-1-ium-1-yl)-2-pyridin-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-ium-1-yl)-2-pyridin-2-yl-ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepan-1-iumyl)-2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-ium-1-yl)-2-pyridin-2-ylethyl]azanium Traditional Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(2-pyridyl)ethyl]ammonium Formula: C13H23N3+2 MolecularWeight: 221.34182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC=CC=N2

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC=CC=N2

InChI

InChI=1S/C13H21N3/c14-11-13(12-7-3-4-8-15-12)16-9-5-1-2-6-10-16/h3-4,7-8,13H,1-2,5-6,9-11,14H2/p+2/t13-/m0/s1