N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-pyridin-2-amine

Systemtic Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-pyridin-2-amine Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-nitro-pyridin-2-amine CAS Name: N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-3-nitro-2-pyridinamine IUPAC Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-3-nitropyridin-2-amine Traditional Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-(3-nitro-2-pyridyl)amine Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H21N5O2S/c1-19-7-9-20(10-8-19)14(15-5-3-11-24-15)12-18-16-13(21(22)23)4-2-6-17-16/h2-6,11,14H,7-10,12H2,1H3,(H,17,18)/p+1/t14-/m1/s1