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

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: [(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-(5-nitropyridin-1-ium-2-yl)amine Formula: C17H22N4O3+2 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c22-21(23)15-6-7-17(18-12-15)19-16(14-4-2-1-3-5-14)13-20-8-10-24-11-9-20/h1-7,12,16H,8-11,13H2,(H,18,19)/p+2/t16-/m1/s1