N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[2-[2-(p-tolyl)thiazol-4-yl]ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-[2-(4-methylphenyl)-4-thiazolyl]ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[2-[2-(p-tolyl)thiazol-4-yl]ethyl]amine Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-12-4-6-13(7-5-12)17-20-14(11-24-17)8-10-19-16-15(21(22)23)3-2-9-18-16/h2-7,9,11H,8,10H2,1H3,(H,18,19)/p+1