N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C14H13N4O2S+ MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-17(14-11(18(19)20)6-4-8-15-14)9-13-16-10-5-2-3-7-12(10)21-13/h2-8H,9H2,1H3/p+1