3-nitro-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-2-amine

Systemtic Name: 3-nitro-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-2-amine Openeye Name: 3-nitro-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-2-amine CAS Name: 3-nitro-N-[[3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyridinamine IUPAC Name: 3-nitro-N-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-2-amine Traditional Name: (3-nitro-2-pyridyl)-[3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC(=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC(=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c22-21(23)16-7-4-8-18-17(16)19-12-14-5-3-6-15(11-14)13-20-9-1-2-10-20/h3-8,11H,1-2,9-10,12-13H2,(H,18,19)/p+1