[2-[2-methyl-1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]-2-oxidanyl-ethyl]carbamic acid

Systemtic Name: [2-[2-methyl-1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]-2-oxidanyl-ethyl]carbamic acid Openeye Name: [2-hydroxy-2-[2-methyl-1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]ethyl]carbamic acid CAS Name: [2-hydroxy-2-[2-methyl-1-[2-(4-nitrophenyl)ethyl]-3-pyridin-1-iumyl]ethyl]carbamic acid IUPAC Name: [2-hydroxy-2-[2-methyl-1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]ethyl]carbamic acid Traditional Name: [2-hydroxy-2-[2-methyl-1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]ethyl]carbamic acid Formula: C17H20N3O5+ MolecularWeight: 346.3578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=[N+]1CCC2=CC=C(C=C2)[N+](=O)[O-])C(CNC(=O)O)O

Isomeric SMILES

CC1=C(C=CC=[N+]1CCC2=CC=C(C=C2)[N+](=O)[O-])C(CNC(=O)O)O

InChI

InChI=1S/C17H19N3O5/c1-12-15(16(21)11-18-17(22)23)3-2-9-19(12)10-8-13-4-6-14(7-5-13)20(24)25/h2-7,9,16,18,21H,8,10-11H2,1H3/p+1