1-[4-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]amino]-3-nitro-phenyl]ethanone Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C17H25N3O4/c1-12(2)17(19-6-8-24-9-7-19)11-18-15-5-4-14(13(3)21)10-16(15)20(22)23/h4-5,10,12,17-18H,6-9,11H2,1-3H3/p+1/t17-/m0/s1