3-nitro-N-phenethyl-pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-phenethyl-pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-phenethyl-pyridin-1-ium-2-amine CAS Name: 3-nitro-N-phenethyl-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-phenethylpyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-phenethyl-amine Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2/c17-16(18)12-7-4-9-14-13(12)15-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,14,15)/p+1