N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-[2-(3-chlorophenyl)thiazol-4-yl]ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-[2-(3-chlorophenyl)-4-thiazolyl]ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 2-[2-(3-chlorophenyl)thiazol-4-yl]ethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C16H14ClN4O2S+ MolecularWeight: 361.82596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC(=CS2)CCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC(=CS2)CCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O2S/c17-12-3-1-2-11(8-12)16-20-13(10-24-16)6-7-18-15-5-4-14(9-19-15)21(22)23/h1-5,8-10H,6-7H2,(H,18,19)/p+1