N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylthio]propyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [2-methyl-2-[(2,4,6-trimethylbenzyl)thio]propyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC(C)(C)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC(C)(C)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N3O2S/c1-13-9-14(2)16(15(3)10-13)11-25-19(4,5)12-21-18-17(22(23)24)7-6-8-20-18/h6-10H,11-12H2,1-5H3,(H,20,21)/p+1