4,5-dimethoxy-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2-nitro-benzamide Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H24N4O5S/c1-12-5-4-6-22(9-12)10-13-11-29-19(20-13)21-18(24)14-7-16(27-2)17(28-3)8-15(14)23(25)26/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21,24)/p+1/t12-/m0/s1