N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(S)-(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-nitropyridin-1-ium-2-amine Traditional Name: [(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-(5-nitropyridin-1-ium-2-yl)amine Formula: C16H15ClN5O2+ MolecularWeight: 344.7756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)Cl)NC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN5O2/c1-21-9-8-18-16(21)15(11-2-4-12(17)5-3-11)20-14-7-6-13(10-19-14)22(23)24/h2-10,15H,1H3,(H,19,20)/p+1/t15-/m0/s1