4-nitro-N-propyl-N-[4-(1-propylpyrrolidin-1-ium-1-yl)butyl]aniline

Systemtic Name: 4-nitro-N-propyl-N-[4-(1-propylpyrrolidin-1-ium-1-yl)butyl]aniline Openeye Name: 4-nitro-N-propyl-N-[4-(1-propylpyrrolidin-1-ium-1-yl)butyl]aniline CAS Name: 4-nitro-N-propyl-N-[4-(1-propyl-1-pyrrolidin-1-iumyl)butyl]aniline IUPAC Name: 4-nitro-N-propyl-N-[4-(1-propylpyrrolidin-1-ium-1-yl)butyl]aniline Traditional Name: (4-nitrophenyl)-propyl-[4-(1-propylpyrrolidin-1-ium-1-yl)butyl]amine Formula: C20H34N3O2+ MolecularWeight: 348.50286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC[N+]1(CCCC1)CCC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCCC[N+]1(CCCC1)CCC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H34N3O2/c1-3-13-21(19-9-11-20(12-10-19)22(24)25)14-5-6-16-23(15-4-2)17-7-8-18-23/h9-12H,3-8,13-18H2,1-2H3/q+1