[(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-pyridin-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-pyridin-2-yl-ethyl]azanium Openeye Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-pyridin-2-ylethyl]azanium Traditional Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-pyridyl)ethyl]ammonium Formula: C13H24N4+2 MolecularWeight: 236.35646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CC=CC=N2

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC=CC=N2

InChI

InChI=1S/C13H22N4/c1-16-7-4-8-17(10-9-16)13(11-14)12-5-2-3-6-15-12/h2-3,5-6,13H,4,7-11,14H2,1H3/p+2/t13-/m0/s1