(2S)-1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-nitrophenyl)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-nitrophenyl)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](CC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C14H20N2O3/c17-13(11-15-8-4-1-5-9-15)10-12-6-2-3-7-14(12)16(18)19/h2-3,6-7,13,17H,1,4-5,8-11H2/p+1/t13-/m0/s1