N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H15N4O2S+ MolecularWeight: 315.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O2S/c1-10(15-17-11-6-3-4-8-13(11)22-15)18(2)14-12(19(20)21)7-5-9-16-14/h3-10H,1-2H3/p+1/t10-/m1/s1