5-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-2-amine

Systemtic Name: 5-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-2-amine Openeye Name: 5-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-2-amine CAS Name: 5-nitro-N-[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyridinamine IUPAC Name: 5-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]pyridin-2-amine Traditional Name: (5-nitro-2-pyridyl)-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=CC=C2)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=CC=CC=C2)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c22-21(23)15-8-9-17(18-12-15)19-16(13-20-10-4-5-11-20)14-6-2-1-3-7-14/h1-3,6-9,12,16H,4-5,10-11,13H2,(H,18,19)/p+1/t16-/m1/s1