3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3-nitrophenyl)methyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-14-6-2-3-10-18(14)11-5-9-17-13-15-7-4-8-16(12-15)19(20)21/h4,7-8,12,14,17H,2-3,5-6,9-11,13H2,1H3/p+2/t14-/m0/s1