N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-methyl-N-[(3-methyl-2-thienyl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: methyl-[(3-methyl-2-thienyl)methyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-9-5-7-18-11(9)8-14(2)12-10(15(16)17)4-3-6-13-12/h3-7H,8H2,1-2H3/p+1