2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O3/c1-13-4-2-3-11-19(13)12-16(21)18-10-9-17-14-5-7-15(8-6-14)20(22)23/h5-8,13,17H,2-4,9-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1