(2S)-N-(3-nitrophenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-nitrophenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-nitrophenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(3-nitrophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-nitrophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-nitrophenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CC[NH2+]CC2

InChI

InChI=1S/C13H18N4O3/c1-10(16-7-5-14-6-8-16)13(18)15-11-3-2-4-12(9-11)17(19)20/h2-4,9-10,14H,5-8H2,1H3,(H,15,18)/p+1/t10-/m0/s1