[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-pyridylmethyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-pyridylmethyl)ammonium Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]CC2=CN=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C15H23N3O/c1-13(17-12-14-7-6-8-16-11-14)15(19)18-9-4-2-3-5-10-18/h6-8,11,13,17H,2-5,9-10,12H2,1H3/p+1/t13-/m0/s1