2,4-dinitro-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline

Systemtic Name: 2,4-dinitro-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline Openeye Name: 2,4-dinitro-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline CAS Name: 2,4-dinitro-N-[4-(1-pyrrolidin-1-iumyl)butyl]aniline IUPAC Name: 2,4-dinitro-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline Traditional Name: (2,4-dinitrophenyl)-(4-pyrrolidin-1-ium-1-ylbutyl)amine Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c19-17(20)12-5-6-13(14(11-12)18(21)22)15-7-1-2-8-16-9-3-4-10-16/h5-6,11,15H,1-4,7-10H2/p+1