1-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-3-nitro-phenyl]ethanone Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2(CCCCC2)[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2(CCCCC2)[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4/c1-15(23)16-5-6-17(18(13-16)22(24)25)20-14-19(7-3-2-4-8-19)21-9-11-26-12-10-21/h5-6,13,20H,2-4,7-12,14H2,1H3/p+1