N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitropyridin-1-ium-2-amine Traditional Name: [(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(5-nitropyridin-1-ium-2-yl)amine Formula: C17H18N5O3+ MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3/c1-21-9-8-18-17(21)16(12-4-3-5-14(10-12)25-2)20-15-7-6-13(11-19-15)22(23)24/h3-11,16H,1-2H3,(H,19,20)/p+1/t16-/m0/s1