N-methyl-N-[3-(1-methylazetidin-1-ium-1-yl)propyl]-4-nitro-aniline

Systemtic Name: N-methyl-N-[3-(1-methylazetidin-1-ium-1-yl)propyl]-4-nitro-aniline Openeye Name: N-methyl-N-[3-(1-methylazetidin-1-ium-1-yl)propyl]-4-nitro-aniline CAS Name: N-methyl-N-[3-(1-methyl-1-azetidin-1-iumyl)propyl]-4-nitroaniline IUPAC Name: N-methyl-N-[3-(1-methylazetidin-1-ium-1-yl)propyl]-4-nitroaniline Traditional Name: methyl-[3-(1-methylazetidin-1-ium-1-yl)propyl]-(4-nitrophenyl)amine Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[N+]1(CCC1)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC[N+]1(CCC1)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N3O2/c1-15(9-3-10-17(2)11-4-12-17)13-5-7-14(8-6-13)16(18)19/h5-8H,3-4,9-12H2,1-2H3/q+1