N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(S)-(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H15FN5O2+ MolecularWeight: 328.321003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)F)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H14FN5O2/c1-21-10-9-19-16(21)14(11-4-6-12(17)7-5-11)20-15-13(22(23)24)3-2-8-18-15/h2-10,14H,1H3,(H,18,20)/p+1/t14-/m0/s1