3-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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