[(1S)-1-(2-nitrophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(2-nitrophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(2-nitrophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2-nitrophenyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-nitrophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(2-nitrophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1[N+](=O)[O-])[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1[N+](=O)[O-])[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25N3O2/c1-14(15-8-3-4-9-16(15)19(20)21)17-10-7-13-18-11-5-2-6-12-18/h3-4,8-9,14,17H,2,5-7,10-13H2,1H3/p+2/t14-/m0/s1