4-methyl-1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium

Systemtic Name: 4-methyl-1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium Openeye Name: 4-methyl-1-(2-nitrobenzothiophen-3-yl)pyridin-1-ium CAS Name: 4-methyl-1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium IUPAC Name: 4-methyl-1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium Traditional Name: 4-methyl-1-(2-nitrobenzothiophen-3-yl)pyridin-1-ium Formula: C14H11N2O2S+ MolecularWeight: 271.31434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C14H11N2O2S/c1-10-6-8-15(9-7-10)13-11-4-2-3-5-12(11)19-14(13)16(17)18/h2-9H,1H3/q+1