N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H22N4O4+2 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C16H20N4O4/c1-12-4-5-15(24-12)14(19-7-9-23-10-8-19)11-18-16-13(20(21)22)3-2-6-17-16/h2-6,14H,7-11H2,1H3,(H,17,18)/p+2/t14-/m0/s1