N,N-dimethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]pyridin-1-ium-4-amine

Systemtic Name: N,N-dimethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]pyridin-1-ium-4-amine Openeye Name: N,N-dimethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]pyridin-1-ium-4-amine CAS Name: N,N-dimethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]-4-pyridin-1-iumamine IUPAC Name: N,N-dimethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]pyridin-1-ium-4-amine Traditional Name: dimethyl-[1-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]pyridin-1-ium-4-yl]amine Formula: C16H18N5O2+ MolecularWeight: 312.34642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CCC2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CCC2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H18N5O2/c1-19(2)12-6-9-20(10-7-12)11-8-15-17-13-4-3-5-14(21(22)23)16(13)18-15/h3-7,9-10H,8,11H2,1-2H3,(H,17,18)/q+1