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

Systemtic Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-3-nitro-benzamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-12-6-13(2)9-21(8-12)10-15-11-26-18(19-15)20-17(23)14-4-3-5-16(7-14)22(24)25/h3-5,7,11-13H,6,8-10H2,1-2H3,(H,19,20,23)/p+1/t12-,13-/m0/s1