(2S)-N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-methyl-5-nitrophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C15H21N3O3/c1-11-6-7-13(18(20)21)10-14(11)16-15(19)12(2)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19)/p+1/t12-/m0/s1