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

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-[(3S)-3-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:

CC1CCC[NH+](C1)CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O3/c1-13-3-2-10-19(11-13)12-16(21)18-9-8-17-14-4-6-15(7-5-14)20(22)23/h4-7,13,17H,2-3,8-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1