N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-methyl-4-nitro-benzamide Formula: C16H15ClF3N4O3+ MolecularWeight: 403.76351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClF3N4O3/c1-9-6-10(2-3-13(9)24(26)27)15(25)22-5-4-21-14-12(17)7-11(8-23-14)16(18,19)20/h2-3,6-8H,4-5H2,1H3,(H,21,23)(H,22,25)/p+1