(2S)-N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(3-nitrophenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C13H17N3O3/c1-10(15-7-2-3-8-15)13(17)14-11-5-4-6-12(9-11)16(18)19/h4-6,9-10H,2-3,7-8H2,1H3,(H,14,17)/p+1/t10-/m0/s1