(1S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(2-nitrophenyl)ethanamine

Systemtic Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(2-nitrophenyl)ethanamine Openeye Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(2-nitrophenyl)ethanamine CAS Name: (1S)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-(2-nitrophenyl)ethanamine IUPAC Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(2-nitrophenyl)ethanamine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1S)-1-(2-nitrophenyl)ethyl]amine Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-3-17-10-6-7-13(17)11-16-12(2)14-8-4-5-9-15(14)18(19)20/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3/p+1/t12-,13-/m0/s1