2-chloranyl-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-4-nitro-aniline CAS Name: 2-chloro-N-[2-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-2-methylpropyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methylpropyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]amine Formula: C16H25ClN3O3+ MolecularWeight: 342.841

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C(C)(C)CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)C(C)(C)CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H24ClN3O3/c1-11-8-19(9-12(2)23-11)16(3,4)10-18-15-6-5-13(20(21)22)7-14(15)17/h5-7,11-12,18H,8-10H2,1-4H3/p+1/t11-,12-/m1/s1