[2-[[6-(azepan-1-yl)pyridin-1-ium-3-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[6-(azepan-1-yl)pyridin-1-ium-3-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[[6-(azepan-1-yl)pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[6-(1-azepanyl)-3-pyridin-1-iumyl]amino]-2-oxoethyl]ammonium IUPAC Name: [2-[[6-(azepan-1-yl)pyridin-1-ium-3-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[6-(azepan-1-yl)pyridin-1-ium-3-yl]amino]-2-keto-ethyl]ammonium Formula: C13H22N4O+2 MolecularWeight: 250.33998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C=C(C=C2)NC(=O)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C=C(C=C2)NC(=O)C[NH3+]

InChI

InChI=1S/C13H20N4O/c14-9-13(18)16-11-5-6-12(15-10-11)17-7-3-1-2-4-8-17/h5-6,10H,1-4,7-9,14H2,(H,16,18)/p+2