2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CS3

InChI

InChI=1S/C19H23N3O3S/c1-14-6-8-21(9-7-14)17(19-3-2-10-26-19)13-20-12-15-11-16(22(24)25)4-5-18(15)23/h2-5,10-12,14,17,23H,6-9,13H2,1H3/t17-/m1/s1