[(E)-N'-nitrocarbamimidoyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanide

Systemtic Name: [(E)-N'-nitrocarbamimidoyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanide Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(E)-N'-nitrocarbamimidoyl]azanide CAS Name: [(E)-amino(nitroimino)methyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]azanide IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(E)-N'-nitrocarbamimidoyl]azanide Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(E)-N'-nitroamidino]azanide Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[N-]C(=N[N+](=O)[O-])N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1[N-]/C(=N/[N+](=O)[O-])/N)CC2=CC=CC=C2

InChI

InChI=1S/C13H18N5O2/c14-13(16-18(19)20)15-12-6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2-,14,15,16)/q-1/p+1