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

Systemtic Name: 4-chloranyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2-nitro-benzamide CAS Name: 4-chloro-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2-nitro-benzamide Formula: C17H20ClN4O3S+ MolecularWeight: 395.8837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3S/c1-11-3-2-6-21(8-11)9-13-10-26-17(19-13)20-16(23)14-5-4-12(18)7-15(14)22(24)25/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,19,20,23)/p+1/t11-/m0/s1