4,5-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-nitro-benzamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-14-6-8-23(9-7-14)17(20-5-4-10-30-20)13-22-21(25)15-11-18(28-2)19(29-3)12-16(15)24(26)27/h4-5,10-12,14,17H,6-9,13H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1