[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(4-pyridylmethyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(4-pyridylmethyl)ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH2+]CC2=CC=NC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH2+]CC2=CC=NC=C2

InChI

InChI=1S/C14H21N3O/c18-14(17-9-3-1-2-4-10-17)12-16-11-13-5-7-15-8-6-13/h5-8,16H,1-4,9-12H2/p+1