2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CS3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c1-20-6-8-21(9-7-20)16(18-3-2-10-26-18)13-19-12-14-11-15(22(24)25)4-5-17(14)23/h2-5,10-12,16,23H,6-9,13H2,1H3/p+1/t16-/m1/s1