4-chloranyl-2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]iminomethyl]-6-nitro-phenolate Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-21-4-6-22(7-5-21)16(17-3-2-8-27-17)12-20-11-13-9-14(19)10-15(18(13)24)23(25)26/h2-3,8-11,16,24H,4-7,12H2,1H3/p+1/t16-/m1/s1