N-[(6-chloranylpyridin-3-yl)methyl]-N,1-dimethyl-3-nitro-pyrrol-1-ium-1-amine

Systemtic Name: N-[(6-chloranylpyridin-3-yl)methyl]-N,1-dimethyl-3-nitro-pyrrol-1-ium-1-amine Openeye Name: N-[(6-chloro-3-pyridyl)methyl]-N,1-dimethyl-3-nitro-pyrrol-1-ium-1-amine CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-3-nitro-1-pyrrol-1-iumamine IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]-N,1-dimethyl-3-nitropyrrol-1-ium-1-amine Traditional Name: (6-chloro-3-pyridyl)methyl-methyl-(1-methyl-3-nitro-pyrrol-1-ium-1-yl)amine Formula: C12H14ClN4O2+ MolecularWeight: 281.71816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN4O2/c1-15(8-10-3-4-12(13)14-7-10)17(2)6-5-11(9-17)16(18)19/h3-7,9H,8H2,1-2H3/q+1