N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C14H13N4O2S+ MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c19-18(20)11-5-3-8-15-14(11)16-9-7-13-17-10-4-1-2-6-12(10)21-13/h1-6,8H,7,9H2,(H,15,16)/p+1