2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-12-4-3-7-20(9-12)10-16(22)19-17-18-15(11-25-17)13-5-2-6-14(8-13)21(23)24/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H,18,19,22)/p+1/t12-/m0/s1