[(3R)-2-oxidanylideneazepan-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3R)-2-oxidanylideneazepan-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(3R)-2-oxoazepan-3-yl]-(4-pyridylmethyl)ammonium CAS Name: [(3R)-2-oxo-3-azepanyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3R)-2-oxoazepan-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(3R)-2-ketoazepan-3-yl]-(4-pyridylmethyl)ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC2=CC=NC=C2

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)[NH2+]CC2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c16-12-11(3-1-2-6-14-12)15-9-10-4-7-13-8-5-10/h4-5,7-8,11,15H,1-3,6,9H2,(H,14,16)/p+1/t11-/m1/s1