3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-(4-nitrobenzyl)ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-14-5-2-3-11-18(14)12-4-10-17-13-15-6-8-16(9-7-15)19(20)21/h6-9,14,17H,2-5,10-13H2,1H3/p+2/t14-/m0/s1