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

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

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

Isomeric SMILES

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

InChI

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